 Entering Gaussian System, Link 0=g16
 Input=28_pantolactone_Boat_STD_M11-augccpVDZr.in
 Output=28_pantolactone_Boat_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
            -H     0
            S    4   1.00
                  1.301000D+01           1.968500D-02
                  1.962000D+00           1.379770D-01
                  4.446000D-01           4.781480D-01
                  1.220000D-01           5.012400D-01
            S    1   1.00
                  1.220000D-01           1.000000D+00
            S    1   1.00
                  0.0297400              1.0000000
            P    1   1.00
                  7.270000D-01           1.0000000
            P    1   1.00
                  0.1410000              1.0000000
            ****
            -He     0
            S    4   1.00
                  3.836000D+01           2.380900D-02
                  5.770000D+00           1.548910D-01
                  1.240000D+00           4.699870D-01
                  2.976000D-01           5.130270D-01
            S    1   1.00
                  2.976000D-01           1.000000D+00
            S    1   1.00
                  0.0725500              1.0000000
            P    1   1.00
                  1.275000D+00           1.0000000
            P    1   1.00
                  0.2473000              1.0000000
            ****
            -Li     0
            S    9   1.00
                  1.469000D+03           7.660000D-04
                  2.205000D+02           5.892000D-03
                  5.026000D+01           2.967100D-02
                  1.424000D+01           1.091800D-01
                  4.581000D+00           2.827890D-01
                  1.580000D+00           4.531230D-01
                  5.640000D-01           2.747740D-01
                  7.345000D-02           9.751000D-03
                  2.805000D-02          -3.180000D-03
            S    9   1.00
                  1.469000D+03          -1.200000D-04
                  2.205000D+02          -9.230000D-04
                  5.026000D+01          -4.689000D-03
                  1.424000D+01          -1.768200D-02
                  4.581000D+00          -4.890200D-02
                  1.580000D+00          -9.600900D-02
                  5.640000D-01          -1.363800D-01
                  7.345000D-02           5.751020D-01
                  2.805000D-02           5.176610D-01
            S    1   1.00
                  2.805000D-02           1.000000D+00
            S    1   1.00
                  8.600000D-03           1.000000D+00
            P    4   1.00
                  1.534000D+00           2.278400D-02
                  2.749000D-01           1.391070D-01
                  7.362000D-02           5.003750D-01
                  2.403000D-02           5.084740D-01
            P    1   1.00
                  2.403000D-02           1.000000D+00
            P    1   1.00
                  5.800000D-03           1.000000D+00
            D    1   1.00
                  1.144000D-01           1.0000000
            D    1   1.00
                  7.330000D-02           1.000000D+00
            ****
            -Be     0
            S    9   1.00
                  2.940000D+03           6.800000D-04
                  4.412000D+02           5.236000D-03
                  1.005000D+02           2.660600D-02
                  2.843000D+01           9.999300D-02
                  9.169000D+00           2.697020D-01
                  3.196000D+00           4.514690D-01
                  1.159000D+00           2.950740D-01
                  1.811000D-01           1.258700D-02
                  5.890000D-02          -3.756000D-03
            S    9   1.00
                  2.940000D+03          -1.230000D-04
                  4.412000D+02          -9.660000D-04
                  1.005000D+02          -4.831000D-03
                  2.843000D+01          -1.931400D-02
                  9.169000D+00          -5.328000D-02
                  3.196000D+00          -1.207230D-01
                  1.159000D+00          -1.334350D-01
                  1.811000D-01           5.307670D-01
                  5.890000D-02           5.801170D-01
            S    1   1.00
                  5.890000D-02           1.000000D+00
            S    1   1.00
                  1.790000D-02           1.000000D+00
            P    4   1.00
                  3.619000D+00           2.911100D-02
                  7.110000D-01           1.693650D-01
                  1.951000D-01           5.134580D-01
                  6.018000D-02           4.793380D-01
            P    1   1.00
                  6.018000D-02           1.000000D+00
            P    1   1.00
                  1.110000D-02           1.000000D+00
            D    1   1.00
                  2.354000D-01           1.0000000
            D    1   1.00
                  7.220000D-02           1.000000D+00
            ****
            -B     0
            S    9   1.00
                  4.570000D+03           6.960000D-04
                  6.859000D+02           5.353000D-03
                  1.565000D+02           2.713400D-02
                  4.447000D+01           1.013800D-01
                  1.448000D+01           2.720550D-01
                  5.131000D+00           4.484030D-01
                  1.898000D+00           2.901230D-01
                  3.329000D-01           1.432200D-02
                  1.043000D-01          -3.486000D-03
            S    9   1.00
                  4.570000D+03          -1.390000D-04
                  6.859000D+02          -1.097000D-03
                  1.565000D+02          -5.444000D-03
                  4.447000D+01          -2.191600D-02
                  1.448000D+01          -5.975100D-02
                  5.131000D+00          -1.387320D-01
                  1.898000D+00          -1.314820D-01
                  3.329000D-01           5.395260D-01
                  1.043000D-01           5.807740D-01
            S    1   1.00
                  1.043000D-01           1.000000D+00
            S    1   1.00
                  0.0310500              1.0000000
            P    4   1.00
                  6.001000D+00           3.548100D-02
                  1.241000D+00           1.980720D-01
                  3.364000D-01           5.052300D-01
                  9.538000D-02           4.794990D-01
            P    1   1.00
                  9.538000D-02           1.000000D+00
            P    1   1.00
                  0.0237800              1.0000000
            D    1   1.00
                  3.430000D-01           1.0000000
            D    1   1.00
                  0.0904000              1.0000000
            ****
            -C     0
            S    9   1.00
                  6.665000D+03           6.920000D-04
                  1.000000D+03           5.329000D-03
                  2.280000D+02           2.707700D-02
                  6.471000D+01           1.017180D-01
                  2.106000D+01           2.747400D-01
                  7.495000D+00           4.485640D-01
                  2.797000D+00           2.850740D-01
                  5.215000D-01           1.520400D-02
                  1.596000D-01          -3.191000D-03
            S    9   1.00
                  6.665000D+03          -1.460000D-04
                  1.000000D+03          -1.154000D-03
                  2.280000D+02          -5.725000D-03
                  6.471000D+01          -2.331200D-02
                  2.106000D+01          -6.395500D-02
                  7.495000D+00          -1.499810D-01
                  2.797000D+00          -1.272620D-01
                  5.215000D-01           5.445290D-01
                  1.596000D-01           5.804960D-01
            S    1   1.00
                  1.596000D-01           1.000000D+00
            S    1   1.00
                  0.0469000              1.0000000
            P    4   1.00
                  9.439000D+00           3.810900D-02
                  2.002000D+00           2.094800D-01
                  5.456000D-01           5.085570D-01
                  1.517000D-01           4.688420D-01
            P    1   1.00
                  1.517000D-01           1.000000D+00
            P    1   1.00
                  0.0404100              1.0000000
            D    1   1.00
                  5.500000D-01           1.0000000
            D    1   1.00
                  0.1510000              1.0000000
            ****
            -N     0
            S    9   1.00
                  9.046000D+03           7.000000D-04
                  1.357000D+03           5.389000D-03
                  3.093000D+02           2.740600D-02
                  8.773000D+01           1.032070D-01
                  2.856000D+01           2.787230D-01
                  1.021000D+01           4.485400D-01
                  3.838000D+00           2.782380D-01
                  7.466000D-01           1.544000D-02
                  2.248000D-01          -2.864000D-03
            S    9   1.00
                  9.046000D+03          -1.530000D-04
                  1.357000D+03          -1.208000D-03
                  3.093000D+02          -5.992000D-03
                  8.773000D+01          -2.454400D-02
                  2.856000D+01          -6.745900D-02
                  1.021000D+01          -1.580780D-01
                  3.838000D+00          -1.218310D-01
                  7.466000D-01           5.490030D-01
                  2.248000D-01           5.788150D-01
            S    1   1.00
                  2.248000D-01           1.000000D+00
            S    1   1.00
                  0.0612400              1.0000000
            P    4   1.00
                  1.355000D+01           3.991900D-02
                  2.917000D+00           2.171690D-01
                  7.973000D-01           5.103190D-01
                  2.185000D-01           4.622140D-01
            P    1   1.00
                  2.185000D-01           1.000000D+00
            P    1   1.00
                  0.0561100              1.0000000
            D    1   1.00
                  8.170000D-01           1.0000000
            D    1   1.00
                  0.2300000              1.0000000
            ****
            -O     0
            S    9   1.00
                  1.172000D+04           7.100000D-04
                  1.759000D+03           5.470000D-03
                  4.008000D+02           2.783700D-02
                  1.137000D+02           1.048000D-01
                  3.703000D+01           2.830620D-01
                  1.327000D+01           4.487190D-01
                  5.025000D+00           2.709520D-01
                  1.013000D+00           1.545800D-02
                  3.023000D-01          -2.585000D-03
            S    9   1.00
                  1.172000D+04          -1.600000D-04
                  1.759000D+03          -1.263000D-03
                  4.008000D+02          -6.267000D-03
                  1.137000D+02          -2.571600D-02
                  3.703000D+01          -7.092400D-02
                  1.327000D+01          -1.654110D-01
                  5.025000D+00          -1.169550D-01
                  1.013000D+00           5.573680D-01
                  3.023000D-01           5.727590D-01
            S    1   1.00
                  3.023000D-01           1.000000D+00
            S    1   1.00
                  0.0789600              1.0000000
            P    4   1.00
                  1.770000D+01           4.301800D-02
                  3.854000D+00           2.289130D-01
                  1.046000D+00           5.087280D-01
                  2.753000D-01           4.605310D-01
            P    1   1.00
                  2.753000D-01           1.000000D+00
            P    1   1.00
                  0.0685600              1.0000000
            D    1   1.00
                  1.185000D+00           1.0000000
            D    1   1.00
                  0.3320000              1.0000000
            ****
            -F     0
            S    9   1.00
                  1.471000D+04           7.210000D-04
                  2.207000D+03           5.553000D-03
                  5.028000D+02           2.826700D-02
                  1.426000D+02           1.064440D-01
                  4.647000D+01           2.868140D-01
                  1.670000D+01           4.486410D-01
                  6.356000D+00           2.647610D-01
                  1.316000D+00           1.533300D-02
                  3.897000D-01          -2.332000D-03
            S    9   1.00
                  1.471000D+04          -1.650000D-04
                  2.207000D+03          -1.308000D-03
                  5.028000D+02          -6.495000D-03
                  1.426000D+02          -2.669100D-02
                  4.647000D+01          -7.369000D-02
                  1.670000D+01          -1.707760D-01
                  6.356000D+00          -1.123270D-01
                  1.316000D+00           5.628140D-01
                  3.897000D-01           5.687780D-01
            S    1   1.00
                  3.897000D-01           1.000000D+00
            S    1   1.00
                  0.0986300              1.0000000
            P    4   1.00
                  2.267000D+01           4.487800D-02
                  4.977000D+00           2.357180D-01
                  1.347000D+00           5.085210D-01
                  3.471000D-01           4.581200D-01
            P    1   1.00
                  3.471000D-01           1.000000D+00
            P    1   1.00
                  0.0850200              1.0000000
            D    1   1.00
                  1.640000D+00           1.0000000
            D    1   1.00
                  0.4640000              1.0000000
            ****
            -Ne     0
            S    9   1.00
                  1.788000D+04           7.380000D-04
                  2.683000D+03           5.677000D-03
                  6.115000D+02           2.888300D-02
                  1.735000D+02           1.085400D-01
                  5.664000D+01           2.909070D-01
                  2.042000D+01           4.483240D-01
                  7.810000D+00           2.580260D-01
                  1.653000D+00           1.506300D-02
                  4.869000D-01          -2.100000D-03
            S    9   1.00
                  1.788000D+04          -1.720000D-04
                  2.683000D+03          -1.357000D-03
                  6.115000D+02          -6.737000D-03
                  1.735000D+02          -2.766300D-02
                  5.664000D+01          -7.620800D-02
                  2.042000D+01          -1.752270D-01
                  7.810000D+00          -1.070380D-01
                  1.653000D+00           5.670500D-01
                  4.869000D-01           5.652160D-01
            S    1   1.00
                  4.869000D-01           1.000000D+00
            S    1   1.00
                  0.1230000              1.0000000
            P    4   1.00
                  2.839000D+01           4.608700D-02
                  6.270000D+00           2.401810D-01
                  1.695000D+00           5.087440D-01
                  4.317000D-01           4.556600D-01
            P    1   1.00
                  4.317000D-01           1.000000D+00
            P    1   1.00
                  0.1064000              1.0000000
            D    1   1.00
                  2.202000D+00           1.0000000
            D    1   1.00
                  0.6310000              1.0000000
            ****
            -Na     0
            S    12   1.00
                  3.170000D+04           4.588780D-04
                  4.755000D+03           3.550700D-03
                  1.082000D+03           1.826180D-02
                  3.064000D+02           7.166500D-02
                  9.953000D+01           2.123460D-01
                  3.542000D+01           4.162030D-01
                  1.330000D+01           3.730200D-01
                  4.392000D+00           6.250540D-02
                  1.676000D+00          -6.245320D-03
                  5.889000D-01           2.433740D-03
                  5.640000D-02          -4.423810D-04
                  2.307000D-02           2.419240D-04
            S    12   1.00
                  3.170000D+04          -1.121620D-04
                  4.755000D+03          -8.685120D-04
                  1.082000D+03          -4.513300D-03
                  3.064000D+02          -1.814360D-02
                  9.953000D+01          -5.807990D-02
                  3.542000D+01          -1.376530D-01
                  1.330000D+01          -1.939080D-01
                  4.392000D+00           8.580090D-02
                  1.676000D+00           6.044190D-01
                  5.889000D-01           4.417190D-01
                  5.640000D-02           1.305470D-02
                  2.307000D-02          -5.680850D-03
            S    12   1.00
                  3.170000D+04           1.701600D-05
                  4.755000D+03           1.306930D-04
                  1.082000D+03           6.877840D-04
                  3.064000D+02           2.723590D-03
                  9.953000D+01           8.955290D-03
                  3.542000D+01           2.078320D-02
                  1.330000D+01           3.193800D-02
                  4.392000D+00          -1.913680D-02
                  1.676000D+00          -1.025950D-01
                  5.889000D-01          -1.989450D-01
                  5.640000D-02           6.559520D-01
                  2.307000D-02           4.311530D-01
            S    1   1.00
                  2.307000D-02           1.000000D+00
            S    1   1.00
                  7.200000D-03           1.000000D+00
            P    8   1.00
                  1.381000D+02           5.796410D-03
                  3.224000D+01           4.157560D-02
                  9.985000D+00           1.628730D-01
                  3.484000D+00           3.594010D-01
                  1.231000D+00           4.499880D-01
                  4.177000D-01           2.275070D-01
                  6.513000D-02           8.082470D-03
                  2.053000D-02          -1.962930D-03
            P    8   1.00
                  1.381000D+02          -5.815310D-04
                  3.224000D+01          -4.073060D-03
                  9.985000D+00          -1.679370D-02
                  3.484000D+00          -3.532680D-02
                  1.231000D+00          -5.219710D-02
                  4.177000D-01          -1.683590D-02
                  6.513000D-02           4.346130D-01
                  2.053000D-02           6.582180D-01
            P    1   1.00
                  2.053000D-02           1.000000D+00
            P    1   1.00
                  5.700000D-03           1.000000D+00
            D    1   1.00
                  9.280000D-02           1.0000000
            D    1   1.00
                  4.800000D-02           1.000000D+00
            ****
            -Mg     0
            S    12   1.00
                  4.739000D+04           3.460230D-04
                  7.108000D+03           2.680770D-03
                  1.618000D+03           1.383670D-02
                  4.584000D+02           5.517670D-02
                  1.493000D+02           1.696600D-01
                  5.359000D+01           3.647030D-01
                  2.070000D+01           4.068560D-01
                  8.384000D+00           1.350890D-01
                  2.542000D+00           4.908840D-03
                  8.787000D-01           2.864600D-04
                  1.077000D-01           2.645900D-05
                  3.999000D-02          -1.127080D-05
            S    12   1.00
                  4.739000D+04          -8.778390D-05
                  7.108000D+03          -6.747250D-04
                  1.618000D+03          -3.556030D-03
                  4.584000D+02          -1.421540D-02
                  1.493000D+02          -4.767480D-02
                  5.359000D+01          -1.148920D-01
                  2.070000D+01          -2.006760D-01
                  8.384000D+00          -3.412240D-02
                  2.542000D+00           5.704540D-01
                  8.787000D-01           5.423090D-01
                  1.077000D-01           2.181280D-02
                  3.999000D-02          -8.277000D-03
            S    12   1.00
                  4.739000D+04           1.696280D-05
                  7.108000D+03           1.298650D-04
                  1.618000D+03           6.888310D-04
                  4.584000D+02           2.735330D-03
                  1.493000D+02           9.312240D-03
                  5.359000D+01           2.232650D-02
                  2.070000D+01           4.111950D-02
                  8.384000D+00           5.456420D-03
                  2.542000D+00          -1.340120D-01
                  8.787000D-01          -2.561760D-01
                  1.077000D-01           6.058560D-01
                  3.999000D-02           5.094460D-01
            S    1   1.00
                  3.999000D-02           1.000000D+00
            S    1   1.00
                  1.420000D-02           1.000000D+00
            P    8   1.00
                  1.799000D+02           5.381610D-03
                  4.214000D+01           3.924180D-02
                  1.313000D+01           1.574450D-01
                  4.628000D+00           3.585350D-01
                  1.670000D+00           4.572260D-01
                  5.857000D-01           2.159180D-01
                  1.311000D-01           6.649480D-03
                  4.112000D-02          -1.253040D-04
            P    8   1.00
                  1.799000D+02          -8.659480D-04
                  4.214000D+01          -6.159780D-03
                  1.313000D+01          -2.615190D-02
                  4.628000D+00          -5.706470D-02
                  1.670000D+00          -8.739060D-02
                  5.857000D-01          -1.229900D-02
                  1.311000D-01           5.020850D-01
                  4.112000D-02           5.972450D-01
            P    1   1.00
                  4.112000D-02           1.000000D+00
            P    1   1.00
                  1.050000D-02           1.000000D+00
            D    1   1.00
                  1.932000D-01           1.0000000
            D    1   1.00
                  6.050000D-02           1.000000D+00
            ****
            -Al     0
            S    12   1.00
                  6.415000D+04           2.902500D-04
                  9.617000D+03           2.250640D-03
                  2.189000D+03           1.164590D-02
                  6.205000D+02           4.673770D-02
                  2.027000D+02           1.462990D-01
                  7.315000D+01           3.302830D-01
                  2.855000D+01           4.158610D-01
                  1.177000D+01           1.892530D-01
                  3.300000D+00           1.158890D-02
                  1.173000D+00          -1.283850D-03
                  1.752000D-01           4.258830D-04
                  6.473000D-02          -1.992800D-04
            S    12   1.00
                  6.415000D+04          -7.580480D-05
                  9.617000D+03          -5.817910D-04
                  2.189000D+03          -3.081130D-03
                  6.205000D+02          -1.231120D-02
                  2.027000D+02          -4.197810D-02
                  7.315000D+01          -1.033710D-01
                  2.855000D+01          -1.963080D-01
                  1.177000D+01          -8.300020D-02
                  3.300000D+00           5.410400D-01
                  1.173000D+00           5.787960D-01
                  1.752000D-01           2.881470D-02
                  6.473000D-02          -9.537950D-03
            S    12   1.00
                  6.415000D+04           1.750780D-05
                  9.617000D+03           1.342080D-04
                  2.189000D+03           7.124420D-04
                  6.205000D+02           2.843300D-03
                  2.027000D+02           9.768420D-03
                  7.315000D+01           2.418500D-02
                  2.855000D+01           4.749930D-02
                  1.177000D+01           2.036210D-02
                  3.300000D+00          -1.587880D-01
                  1.173000D+00          -3.116940D-01
                  1.752000D-01           6.201470D-01
                  6.473000D-02           5.209430D-01
            S    1   1.00
                  6.473000D-02           1.000000D+00
            S    1   1.00
                  0.0231000              1.0000000
            P    8   1.00
                  2.588000D+02           4.068470D-03
                  6.089000D+01           3.068150D-02
                  1.914000D+01           1.291490D-01
                  6.881000D+00           3.208310D-01
                  2.574000D+00           4.538150D-01
                  9.572000D-01           2.750660D-01
                  2.099000D-01           1.908070D-02
                  5.986000D-02          -3.128480D-03
            P    8   1.00
                  2.588000D+02          -7.480530D-04
                  6.089000D+01          -5.457960D-03
                  1.914000D+01          -2.453710D-02
                  6.881000D+00          -5.821380D-02
                  2.574000D+00          -9.837560D-02
                  9.572000D-01          -2.600640D-02
                  2.099000D-01           4.640200D-01
                  5.986000D-02           6.488700D-01
            P    1   1.00
                  5.986000D-02           1.000000D+00
            P    1   1.00
                  0.0153000              1.0000000
            D    1   1.00
                  1.890000D-01           1.0000000
            D    1   1.00
                  0.0535000              1.0000000
            ****
            -Si     0
            S    12   1.00
                  7.886000D+04           2.704430D-04
                  1.182000D+04           2.097170D-03
                  2.692000D+03           1.085060D-02
                  7.634000D+02           4.367540D-02
                  2.496000D+02           1.376530D-01
                  9.028000D+01           3.166440D-01
                  3.529000D+01           4.185810D-01
                  1.451000D+01           2.102120D-01
                  4.053000D+00           1.449520D-02
                  1.482000D+00          -2.035900D-03
                  2.517000D-01           6.241860D-04
                  9.243000D-02          -2.828720D-04
            S    12   1.00
                  7.886000D+04          -7.231770D-05
                  1.182000D+04          -5.551160D-04
                  2.692000D+03          -2.938050D-03
                  7.634000D+02          -1.176870D-02
                  2.496000D+02          -4.029070D-02
                  9.028000D+01          -1.006090D-01
                  3.529000D+01          -1.965280D-01
                  1.451000D+01          -1.023820D-01
                  4.053000D+00           5.271900D-01
                  1.482000D+00           5.932510D-01
                  2.517000D-01           3.326520D-02
                  9.243000D-02          -9.736620D-03
            S    12   1.00
                  7.886000D+04           1.851130D-05
                  1.182000D+04           1.422360D-04
                  2.692000D+03           7.521850D-04
                  7.634000D+02           3.022790D-03
                  2.496000D+02           1.036770D-02
                  9.028000D+01           2.625630D-02
                  3.529000D+01           5.239890D-02
                  1.451000D+01           2.909590D-02
                  4.053000D+00          -1.780030D-01
                  1.482000D+00          -3.468740D-01
                  2.517000D-01           6.230200D-01
                  9.243000D-02           5.377120D-01
            S    1   1.00
                  9.243000D-02           1.000000D+00
            S    1   1.00
                  0.0332000              1.0000000
            P    8   1.00
                  3.159000D+02           3.926560D-03
                  7.442000D+01           2.988110D-02
                  2.348000D+01           1.272120D-01
                  8.488000D+00           3.209430D-01
                  3.217000D+00           4.554290D-01
                  1.229000D+00           2.685630D-01
                  2.964000D-01           1.883360D-02
                  8.768000D-02          -2.624310D-03
            P    8   1.00
                  3.159000D+02          -8.583020D-04
                  7.442000D+01          -6.303280D-03
                  2.348000D+01          -2.882550D-02
                  8.488000D+00          -6.945600D-02
                  3.217000D+00          -1.194930D-01
                  1.229000D+00          -1.995810D-02
                  2.964000D-01           5.102680D-01
                  8.768000D-02           6.003820D-01
            P    1   1.00
                  8.768000D-02           1.000000D+00
            P    1   1.00
                  0.0250000              1.0000000
            D    1   1.00
                  2.750000D-01           1.0000000
            D    1   1.00
                  0.0823000              1.0000000
            ****
            -P     0
            S    12   1.00
                  9.484000D+04           2.555090D-04
                  1.422000D+04           1.981930D-03
                  3.236000D+03           1.027600D-02
                  9.171000D+02           4.148230D-02
                  2.995000D+02           1.319840D-01
                  1.081000D+02           3.086620D-01
                  4.218000D+01           4.206470D-01
                  1.728000D+01           2.228780D-01
                  4.858000D+00           1.640350D-02
                  1.818000D+00          -2.542550D-03
                  3.372000D-01           7.480500D-04
                  1.232000D-01          -3.309630D-04
            S    12   1.00
                  9.484000D+04          -6.969390D-05
                  1.422000D+04          -5.352660D-04
                  3.236000D+03          -2.837090D-03
                  9.171000D+02          -1.139830D-02
                  2.995000D+02          -3.929290D-02
                  1.081000D+02          -9.963640D-02
                  4.218000D+01          -1.979830D-01
                  1.728000D+01          -1.148600D-01
                  4.858000D+00           5.185950D-01
                  1.818000D+00           6.018470D-01
                  3.372000D-01           3.686120D-02
                  1.232000D-01          -9.707590D-03
            S    12   1.00
                  9.484000D+04           1.911990D-05
                  1.422000D+04           1.472230D-04
                  3.236000D+03           7.779120D-04
                  9.171000D+02           3.145460D-03
                  2.995000D+02           1.082000D-02
                  1.081000D+02           2.799570D-02
                  4.218000D+01           5.639780D-02
                  1.728000D+01           3.581900D-02
                  4.858000D+00          -1.933870D-01
                  1.818000D+00          -3.720970D-01
                  3.372000D-01           6.242460D-01
                  1.232000D-01           5.517210D-01
            S    1   1.00
                  1.232000D-01           1.000000D+00
            S    1   1.00
                  0.0417000              1.0000000
            P    8   1.00
                  3.705000D+02           3.950050D-03
                  8.733000D+01           3.024920D-02
                  2.759000D+01           1.295540D-01
                  1.000000D+01           3.275940D-01
                  3.825000D+00           4.569920D-01
                  1.494000D+00           2.530860D-01
                  3.921000D-01           1.687980D-02
                  1.186000D-01          -2.070930D-03
            P    8   1.00
                  3.705000D+02          -9.598320D-04
                  8.733000D+01          -7.111770D-03
                  2.759000D+01          -3.271220D-02
                  1.000000D+01          -7.957840D-02
                  3.825000D+00          -1.350160D-01
                  1.494000D+00          -9.105850D-03
                  3.921000D-01           5.378020D-01
                  1.186000D-01           5.690660D-01
            P    1   1.00
                  1.186000D-01           1.000000D+00
            P    1   1.00
                  0.0343000              1.0000000
            D    1   1.00
                  3.730000D-01           1.0000000
            D    1   1.00
                  0.1130000              1.0000000
            ****
            -S     0
            S    12   1.00
                  1.108000D+05           2.476350D-04
                  1.661000D+04           1.920260D-03
                  3.781000D+03           9.961920D-03
                  1.071000D+03           4.029750D-02
                  3.498000D+02           1.286040D-01
                  1.263000D+02           3.034800D-01
                  4.926000D+01           4.214320D-01
                  2.016000D+01           2.307810D-01
                  5.720000D+00           1.789710D-02
                  2.182000D+00          -2.975160D-03
                  4.327000D-01           8.495220D-04
                  1.570000D-01          -3.679360D-04
            S    12   1.00
                  1.108000D+05          -6.870390D-05
                  1.661000D+04          -5.276810D-04
                  3.781000D+03          -2.796710D-03
                  1.071000D+03          -1.126510D-02
                  3.498000D+02          -3.888340D-02
                  1.263000D+02          -9.950250D-02
                  4.926000D+01          -1.997400D-01
                  2.016000D+01          -1.233600D-01
                  5.720000D+00           5.131940D-01
                  2.182000D+00           6.071200D-01
                  4.327000D-01           3.967530D-02
                  1.570000D-01          -9.468640D-03
            S    12   1.00
                  1.108000D+05           1.990770D-05
                  1.661000D+04           1.534830D-04
                  3.781000D+03           8.095030D-04
                  1.071000D+03           3.289740D-03
                  3.498000D+02           1.129670D-02
                  1.263000D+02           2.963850D-02
                  4.926000D+01           5.998510D-02
                  2.016000D+01           4.132480D-02
                  5.720000D+00          -2.074740D-01
                  2.182000D+00          -3.928890D-01
                  4.327000D-01           6.328400D-01
                  1.570000D-01           5.569240D-01
            S    1   1.00
                  1.570000D-01           1.000000D+00
            S    1   1.00
                  0.0507000              1.0000000
            P    8   1.00
                  3.997000D+02           4.475410D-03
                  9.419000D+01           3.417080D-02
                  2.975000D+01           1.442500D-01
                  1.077000D+01           3.539280D-01
                  4.119000D+00           4.590850D-01
                  1.625000D+00           2.063830D-01
                  4.726000D-01           1.021410D-02
                  1.407000D-01          -6.031220D-05
            P    8   1.00
                  3.997000D+02          -1.162510D-03
                  9.419000D+01          -8.656640D-03
                  2.975000D+01          -3.908860D-02
                  1.077000D+01          -9.346250D-02
                  4.119000D+00          -1.479940D-01
                  1.625000D+00           3.019040D-02
                  4.726000D-01           5.615730D-01
                  1.407000D-01           5.347760D-01
            P    1   1.00
                  1.407000D-01           1.000000D+00
            P    1   1.00
                  0.0399000              1.0000000
            D    1   1.00
                  4.790000D-01           1.0000000
            D    1   1.00
                  0.1520000              1.0000000
            ****
            -Cl     0
            S    12   1.00
                  1.279000D+05           2.411530D-04
                  1.917000D+04           1.870950D-03
                  4.363000D+03           9.708270D-03
                  1.236000D+03           3.931530D-02
                  4.036000D+02           1.259320D-01
                  1.457000D+02           2.993410D-01
                  5.681000D+01           4.218860D-01
                  2.323000D+01           2.372010D-01
                  6.644000D+00           1.915310D-02
                  2.575000D+00          -3.347920D-03
                  5.371000D-01           9.298830D-04
                  1.938000D-01          -3.963790D-04
            S    12   1.00
                  1.279000D+05          -6.789220D-05
                  1.917000D+04          -5.218360D-04
                  4.363000D+03          -2.765130D-03
                  1.236000D+03          -1.115370D-02
                  4.036000D+02          -3.859190D-02
                  1.457000D+02          -9.948480D-02
                  5.681000D+01          -2.013920D-01
                  2.323000D+01          -1.303130D-01
                  6.644000D+00           5.094430D-01
                  2.575000D+00           6.107250D-01
                  5.371000D-01           4.215490D-02
                  1.938000D-01          -9.234270D-03
            S    12   1.00
                  1.279000D+05           2.049860D-05
                  1.917000D+04           1.582980D-04
                  4.363000D+03           8.336390D-04
                  1.236000D+03           3.398800D-03
                  4.036000D+02           1.167380D-02
                  1.457000D+02           3.096220D-02
                  5.681000D+01           6.295330D-02
                  2.323000D+01           4.602570D-02
                  6.644000D+00          -2.193120D-01
                  2.575000D+00          -4.087730D-01
                  5.371000D-01           6.384650D-01
                  1.938000D-01           5.623620D-01
            S    1   1.00
                  1.938000D-01           1.000000D+00
            S    1   1.00
                  0.0608000              1.0000000
            P    8   1.00
                  4.176000D+02           5.259820D-03
                  9.833000D+01           3.983320D-02
                  3.104000D+01           1.646550D-01
                  1.119000D+01           3.873220D-01
                  4.249000D+00           4.570720D-01
                  1.624000D+00           1.516360D-01
                  5.322000D-01           1.816150D-03
                  1.620000D-01           1.882960D-03
            P    8   1.00
                  4.176000D+02          -1.435700D-03
                  9.833000D+01          -1.077960D-02
                  3.104000D+01          -4.700750D-02
                  1.119000D+01          -1.110300D-01
                  4.249000D+00          -1.532750D-01
                  1.624000D+00           8.946090D-02
                  5.322000D-01           5.794440D-01
                  1.620000D-01           4.832720D-01
            P    1   1.00
                  1.620000D-01           1.000000D+00
            P    1   1.00
                  0.0466000              1.0000000
            D    1   1.00
                  6.000000D-01           1.0000000
            D    1   1.00
                  0.1960000              1.0000000
            ****
            -Ar     0
            S    12   1.00
                  1.457000D+05           2.367000D-04
                  2.184000D+04           1.835230D-03
                  4.972000D+03           9.528600D-03
                  1.408000D+03           3.862830D-02
                  4.597000D+02           1.240810D-01
                  1.659000D+02           2.964710D-01
                  6.469000D+01           4.220680D-01
                  2.644000D+01           2.417110D-01
                  7.628000D+00           2.005090D-02
                  2.996000D+00          -3.610000D-03
                  6.504000D-01           9.756070D-04
                  2.337000D-01          -4.113160D-04
            S    12   1.00
                  1.457000D+05          -6.749100D-05
                  2.184000D+04          -5.185220D-04
                  4.972000D+03          -2.748250D-03
                  1.408000D+03          -1.110070D-02
                  4.597000D+02          -3.848200D-02
                  1.659000D+02          -9.975990D-02
                  6.469000D+01          -2.030880D-01
                  2.644000D+01          -1.356080D-01
                  7.628000D+00           5.071950D-01
                  2.996000D+00           6.128980D-01
                  6.504000D-01           4.429680D-02
                  2.337000D-01          -8.992780D-03
            S    12   1.00
                  1.457000D+05           2.104570D-05
                  2.184000D+04           1.625650D-04
                  4.972000D+03           8.554630D-04
                  1.408000D+03           3.497450D-03
                  4.597000D+02           1.201560D-02
                  1.659000D+02           3.213680D-02
                  6.469000D+01           6.552790D-02
                  2.644000D+01           4.993700D-02
                  7.628000D+00          -2.297690D-01
                  2.996000D+00          -4.210060D-01
                  6.504000D-01           6.423310D-01
                  2.337000D-01           5.675400D-01
            S    1   1.00
                  2.337000D-01           1.000000D+00
            S    1   1.00
                  0.0709000              1.0000000
            P    8   1.00
                  4.537000D+02           5.705550D-03
                  1.068000D+02           4.304600D-02
                  3.373000D+01           1.765910D-01
                  1.213000D+01           4.068630D-01
                  4.594000D+00           4.525490D-01
                  1.678000D+00           1.228010D-01
                  5.909000D-01          -4.459960D-03
                  1.852000D-01           2.052250D-03
            P    8   1.00
                  4.537000D+02          -1.606550D-03
                  1.068000D+02          -1.217140D-02
                  3.373000D+01          -5.207890D-02
                  1.213000D+01          -1.237370D-01
                  4.594000D+00          -1.516190D-01
                  1.678000D+00           1.424250D-01
                  5.909000D-01           5.845010D-01
                  1.852000D-01           4.375400D-01
            P    1   1.00
                  1.852000D-01           1.000000D+00
            P    1   1.00
                  0.0533000              1.0000000
            D    1   1.00
                  7.380000D-01           1.0000000
            D    1   1.00
                  0.2400000              1.0000000
            ****
            -Sc     0
            S    20   1.00
                  2.715278D+06           8.147221D-06
                  4.065984D+05           6.334788D-05
                  9.253004D+04           3.330384D-04
                  2.620792D+04           1.404055D-03
                  8.549429D+03           5.081725D-03
                  3.085975D+03           1.626926D-02
                  1.203172D+03           4.624577D-02
                  4.984869D+02           1.137223D-01
                  2.167360D+02           2.257636D-01
                  9.787476D+01           3.106700D-01
                  4.520433D+01           2.191906D-01
                  2.021187D+01           7.215879D-02
                  9.574751D+00           1.187030D-01
                  4.540346D+00           1.220532D-01
                  1.995687D+00           2.136795D-02
                  9.422150D-01          -5.357246D-04
                  4.178450D-01           2.435774D-04
                  9.576100D-02          -8.796617D-05
                  5.135100D-02           7.878246D-05
                  2.387800D-02          -1.637155D-05
            S    20   1.00
                  2.715278D+06          -4.722109D-06
                  4.065984D+05          -3.671829D-05
                  9.253004D+04          -1.930883D-04
                  2.620792D+04          -8.146870D-04
                  8.549429D+03          -2.955526D-03
                  3.085975D+03          -9.520035D-03
                  1.203172D+03          -2.746858D-02
                  4.984869D+02          -6.991528D-02
                  2.167360D+02          -1.499251D-01
                  9.787476D+01          -2.459153D-01
                  4.520433D+01          -2.401293D-01
                  2.021187D+01           3.567987D-02
                  9.574751D+00           4.915023D-01
                  4.540346D+00           4.911381D-01
                  1.995687D+00           9.120633D-02
                  9.422150D-01          -5.356723D-03
                  4.178450D-01           8.812836D-04
                  9.576100D-02          -7.605536D-04
                  5.135100D-02           6.340116D-04
                  2.387800D-02          -1.556163D-04
            S    20   1.00
                  2.715278D+06           9.139905D-07
                  4.065984D+05           7.108513D-06
                  9.253004D+04           3.738126D-05
                  2.620792D+04           1.578828D-04
                  8.549429D+03           5.737686D-04
                  3.085975D+03           1.859244D-03
                  1.203172D+03           5.433182D-03
                  4.984869D+02           1.425387D-02
                  2.167360D+02           3.246144D-02
                  9.787476D+01           6.003454D-02
                  4.520433D+01           6.916105D-02
                  2.021187D+01          -2.113084D-02
                  9.574751D+00          -2.666832D-01
                  4.540346D+00          -4.367591D-01
                  1.995687D+00           6.498243D-02
                  9.422150D-01           7.009599D-01
                  4.178450D-01           4.515562D-01
                  9.576100D-02           3.011910D-02
                  5.135100D-02          -1.329480D-02
                  2.387800D-02           4.633679D-03
            S    20   1.00
                  2.715278D+06          -2.201951D-07
                  4.065984D+05          -1.711419D-06
                  9.253004D+04          -9.008469D-06
                  2.620792D+04          -3.799997D-05
                  8.549429D+03          -1.383227D-04
                  3.085975D+03          -4.473692D-04
                  1.203172D+03          -1.310691D-03
                  4.984869D+02          -3.429860D-03
                  2.167360D+02          -7.847579D-03
                  9.787476D+01          -1.447189D-02
                  4.520433D+01          -1.690669D-02
                  2.021187D+01           5.396115D-03
                  9.574751D+00           6.671062D-02
                  4.540346D+00           1.178356D-01
                  1.995687D+00          -2.738134D-02
                  9.422150D-01          -2.260149D-01
                  4.178450D-01          -3.073539D-01
                  9.576100D-02           2.544054D-01
                  5.135100D-02           5.981590D-01
                  2.387800D-02           3.115202D-01
            S    20   1.00
                  2.715278D+06          -3.757238D-07
                  4.065984D+05          -2.981907D-06
                  9.253004D+04          -1.522586D-05
                  2.620792D+04          -6.684686D-05
                  8.549429D+03          -2.313129D-04
                  3.085975D+03          -7.959729D-04
                  1.203172D+03          -2.161961D-03
                  4.984869D+02          -6.206459D-03
                  2.167360D+02          -1.261905D-02
                  9.787476D+01          -2.739459D-02
                  4.520433D+01          -2.336516D-02
                  2.021187D+01          -5.734627D-03
                  9.574751D+00           1.536025D-01
                  4.540346D+00           1.447100D-01
                  1.995687D+00           9.359699D-02
                  9.422150D-01          -8.687730D-01
                  4.178450D-01           2.114597D-02
                  9.576100D-02           2.275498D+00
                  5.135100D-02          -1.190770D+00
                  2.387800D-02          -7.674257D-01
            S    1   1.00
                  2.387800D-02           1.000000D+00
            S    1   1.00
                  1.110000D-02           1.000000D+00
            P    16   1.00
                  1.059219D+04           4.500000D-05
                  2.507533D+03           4.010000D-04
                  8.144571D+02           2.302000D-03
                  3.115195D+02           1.003700D-02
                  1.319617D+02           3.495400D-02
                  5.998718D+01           9.790900D-02
                  2.866250D+01           2.106800D-01
                  1.410851D+01           3.300930D-01
                  7.103706D+00           3.310270D-01
                  3.609200D+00           1.579600D-01
                  1.776070D+00           2.209900D-02
                  8.547600D-01          -1.605000D-03
                  4.022390D-01          -1.326000D-03
                  1.546650D-01          -2.800000D-04
                  6.494500D-02           3.400000D-05
                  2.635900D-02          -1.300000D-05
            P    16   1.00
                  1.059219D+04          -1.500000D-05
                  2.507533D+03          -1.310000D-04
                  8.144571D+02          -7.570000D-04
                  3.115195D+02          -3.318000D-03
                  1.319617D+02          -1.170600D-02
                  5.998718D+01          -3.360400D-02
                  2.866250D+01          -7.487900D-02
                  1.410851D+01          -1.225480D-01
                  7.103706D+00          -1.302760D-01
                  3.609200D+00           1.459600D-02
                  1.776070D+00           3.091840D-01
                  8.547600D-01           4.629980D-01
                  4.022390D-01           3.049570D-01
                  1.546650D-01           5.087800D-02
                  6.494500D-02          -4.493000D-03
                  2.635900D-02           1.832000D-03
            P    16   1.00
                  1.059219D+04          -4.000000D-06
                  2.507533D+03          -3.200000D-05
                  8.144571D+02          -1.850000D-04
                  3.115195D+02          -8.080000D-04
                  1.319617D+02          -2.870000D-03
                  5.998718D+01          -8.207000D-03
                  2.866250D+01          -1.847300D-02
                  1.410851D+01          -3.010100D-02
                  7.103706D+00          -3.294300D-02
                  3.609200D+00           7.958000D-03
                  1.776070D+00           8.799300D-02
                  8.547600D-01           1.523770D-01
                  4.022390D-01           9.717000D-02
                  1.546650D-01          -2.569380D-01
                  6.494500D-02          -5.878150D-01
                  2.635900D-02          -3.054210D-01
            P    16   1.00
                  1.059219D+04           4.000000D-06
                  2.507533D+03           3.900000D-05
                  8.144571D+02           2.210000D-04
                  3.115195D+02           9.840000D-04
                  1.319617D+02           3.423000D-03
                  5.998718D+01           9.993000D-03
                  2.866250D+01           2.191600D-02
                  1.410851D+01           3.700800D-02
                  7.103706D+00           3.779400D-02
                  3.609200D+00          -4.379000D-03
                  1.776070D+00          -1.101640D-01
                  8.547600D-01          -1.610170D-01
                  4.022390D-01          -1.824820D-01
                  1.546650D-01           3.886110D-01
                  6.494500D-02           6.911000D-01
                  2.635900D-02           7.960400D-02
            P    1   1.00
                  2.635900D-02           1.000000D+00
            P    1   1.00
                  1.066000D-02           1.000000D+00
            D    8   1.00
                  5.051380D+01           4.266000D-03
                  1.474050D+01           2.770800D-02
                  5.195000D+00           1.000010D-01
                  2.028460D+00           2.315810D-01
                  8.040860D-01           3.460330D-01
                  3.076890D-01           3.733740D-01
                  1.113920D-01           2.642880D-01
                  3.735200D-02           6.366700D-02
            D    8   1.00
                  5.051380D+01          -4.389000D-03
                  1.474050D+01          -2.836300D-02
                  5.195000D+00          -1.051370D-01
                  2.028460D+00          -2.348540D-01
                  8.040860D-01          -3.246090D-01
                  3.076890D-01          -6.428900D-02
                  1.113920D-01           6.017490D-01
                  3.735200D-02           3.903000D-01
            D    1   1.00
                  3.735200D-02           1.000000D+00
            D    1   1.00
                  1.244000D-02           1.000000D+00
            F    2   1.00
                  7.126000D-01           3.617450D-01
                  1.636000D-01           8.218680D-01
            F    1   1.00
                  4.063000D-02           1.000000D+00
            ****
            -Ti     0
            S    20   1.00
                  3.014643D+06           8.060782D-06
                  4.514329D+05           6.267518D-05
                  1.027338D+05           3.295006D-04
                  2.909817D+04           1.389203D-03
                  9.492330D+03           5.028469D-03
                  3.426346D+03           1.610419D-02
                  1.335896D+03           4.581232D-02
                  5.535026D+02           1.128613D-01
                  2.406925D+02           2.248193D-01
                  1.087293D+02           3.114571D-01
                  5.026457D+01           2.224995D-01
                  2.258004D+01           7.293128D-02
                  1.071432D+01           1.160683D-01
                  5.093546D+00           1.194774D-01
                  2.244183D+00           2.097868D-02
                  1.059570D+00          -5.091715D-04
                  4.688490D-01           2.217859D-04
                  1.061430D-01          -7.636896D-05
                  5.526200D-02           7.719539D-05
                  2.546500D-02          -1.149056D-05
            S    20   1.00
                  3.014643D+06          -4.630486D-06
                  4.514329D+05          -3.600451D-05
                  1.027338D+05          -1.893420D-04
                  2.909817D+04          -7.988781D-04
                  9.492330D+03          -2.898698D-03
                  3.426346D+03          -9.339701D-03
                  1.335896D+03          -2.697464D-02
                  5.535026D+02          -6.878913D-02
                  2.406925D+02          -1.481037D-01
                  1.087293D+02          -2.445253D-01
                  5.026457D+01          -2.419916D-01
                  2.258004D+01           3.183790D-02
                  1.071432D+01           4.932686D-01
                  5.093546D+00           4.939655D-01
                  2.244183D+00           9.196313D-02
                  1.059570D+00          -5.316992D-03
                  4.688490D-01           8.085624D-04
                  1.061430D-01          -6.918459D-04
                  5.526200D-02           6.086512D-04
                  2.546500D-02          -1.313842D-04
            S    20   1.00
                  3.014643D+06           9.230559D-07
                  4.514329D+05           7.178974D-06
                  1.027338D+05           3.775134D-05
                  2.909817D+04           1.594532D-04
                  9.492330D+03           5.795150D-04
                  3.426346D+03           1.878414D-03
                  1.335896D+03           5.492747D-03
                  5.535026D+02           1.443297D-02
                  2.406925D+02           3.296408D-02
                  1.087293D+02           6.125493D-02
                  5.026457D+01           7.134113D-02
                  2.258004D+01          -1.973150D-02
                  1.071432D+01          -2.741869D-01
                  5.093546D+00          -4.440977D-01
                  2.244183D+00           7.776084D-02
                  1.059570D+00           7.068444D-01
                  4.688490D-01           4.413892D-01
                  1.061430D-01           2.799769D-02
                  5.526200D-02          -1.210790D-02
                  2.546500D-02           4.324762D-03
            S    20   1.00
                  3.014643D+06          -2.180323D-07
                  4.514329D+05          -1.694860D-06
                  1.027338D+05          -8.919208D-06
                  2.909817D+04          -3.763633D-05
                  9.492330D+03          -1.369575D-04
                  3.426346D+03          -4.432894D-04
                  1.335896D+03          -1.298868D-03
                  5.535026D+02          -3.406752D-03
                  2.406925D+02          -7.810829D-03
                  1.087293D+02          -1.449245D-02
                  5.026457D+01          -1.708136D-02
                  2.258004D+01           4.897666D-03
                  1.071432D+01           6.753108D-02
                  5.093546D+00           1.173318D-01
                  2.244183D+00          -2.985025D-02
                  1.059570D+00          -2.277634D-01
                  4.688490D-01          -2.928115D-01
                  1.061430D-01           2.665300D-01
                  5.526200D-02           5.912406D-01
                  2.546500D-02           3.037229D-01
            S    20   1.00
                  3.014643D+06          -3.975126D-07
                  4.514329D+05          -3.161080D-06
                  1.027338D+05          -1.609375D-05
                  2.909817D+04          -7.092947D-05
                  9.492330D+03          -2.442710D-04
                  3.426346D+03          -8.457892D-04
                  1.335896D+03          -2.282208D-03
                  5.535026D+02          -6.619873D-03
                  2.406925D+02          -1.335024D-02
                  1.087293D+02          -2.955830D-02
                  5.026457D+01          -2.477039D-02
                  2.258004D+01          -8.414624D-03
                  1.071432D+01           1.693855D-01
                  5.093546D+00           1.500787D-01
                  2.244183D+00           9.787777D-02
                  1.059570D+00          -9.653608D-01
                  4.688490D-01           1.489721D-01
                  1.061430D-01           2.191179D+00
                  5.526200D-02          -1.243325D+00
                  2.546500D-02          -6.711916D-01
            S    1   1.00
                  2.546500D-02           1.000000D+00
            S    1   1.00
                  1.173000D-02           1.000000D+00
            P    16   1.00
                  1.191203D+04           4.400000D-05
                  2.819947D+03           3.910000D-04
                  9.159479D+02           2.248000D-03
                  3.503842D+02           9.823000D-03
                  1.484825D+02           3.433800D-02
                  6.753944D+01           9.666600D-02
                  3.230332D+01           2.094170D-01
                  1.592786D+01           3.301890D-01
                  8.038035D+00           3.319360D-01
                  4.093916D+00           1.584880D-01
                  2.022390D+00           2.231000D-02
                  9.761020D-01          -1.566000D-03
                  4.595950D-01          -1.324000D-03
                  1.771520D-01          -2.710000D-04
                  7.351700D-02           3.200000D-05
                  2.940100D-02          -1.200000D-05
            P    16   1.00
                  1.191203D+04          -1.500000D-05
                  2.819947D+03          -1.310000D-04
                  9.159479D+02          -7.550000D-04
                  3.503842D+02          -3.319000D-03
                  1.484825D+02          -1.175000D-02
                  6.753944D+01          -3.392200D-02
                  3.230332D+01          -7.616400D-02
                  1.592786D+01          -1.257020D-01
                  8.038035D+00          -1.330980D-01
                  4.093916D+00           1.740600D-02
                  2.022390D+00           3.151650D-01
                  9.761020D-01           4.618140D-01
                  4.595950D-01           2.998560D-01
                  1.771520D-01           5.000000D-02
                  7.351700D-02          -4.230000D-03
                  2.940100D-02           1.725000D-03
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.100000D-05
                  9.159479D+02           1.820000D-04
                  3.503842D+02           7.950000D-04
                  1.484825D+02           2.833000D-03
                  6.753944D+01           8.154000D-03
                  3.230332D+01           1.847200D-02
                  1.592786D+01           3.040000D-02
                  8.038035D+00           3.304700D-02
                  4.093916D+00          -8.251000D-03
                  2.022390D+00          -8.855400D-02
                  9.761020D-01          -1.496120D-01
                  4.595950D-01          -9.422700D-02
                  1.771520D-01           2.508460D-01
                  7.351700D-02           5.866430D-01
                  2.940100D-02           3.135350D-01
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.900000D-05
                  9.159479D+02           2.230000D-04
                  3.503842D+02           9.920000D-04
                  1.484825D+02           3.476000D-03
                  6.753944D+01           1.017200D-02
                  3.230332D+01           2.257600D-02
                  1.592786D+01           3.823800D-02
                  8.038035D+00           3.933700D-02
                  4.093916D+00          -6.106000D-03
                  2.022390D+00          -1.129620D-01
                  9.761020D-01          -1.681140D-01
                  4.595950D-01          -1.659320D-01
                  1.771520D-01           3.914030D-01
                  7.351700D-02           6.818400D-01
                  2.940100D-02           8.403100D-02
            P    1   1.00
                  2.940100D-02           1.000000D+00
            P    1   1.00
                  1.176000D-02           1.000000D+00
            D    8   1.00
                  6.401300D+01           3.887000D-03
                  1.881790D+01           2.639900D-02
                  6.728700D+00           9.751100D-02
                  2.664130D+00           2.328480D-01
                  1.078680D+00           3.531520D-01
                  4.232090D-01           3.721860D-01
                  1.559990D-01           2.476720D-01
                  5.188400D-02           5.823600D-02
            D    8   1.00
                  6.401300D+01          -3.970000D-03
                  1.881790D+01          -2.687300D-02
                  6.728700D+00          -1.022750D-01
                  2.664130D+00          -2.377280D-01
                  1.078680D+00          -3.121140D-01
                  4.232090D-01          -4.237800D-02
                  1.559990D-01           5.886580D-01
                  5.188400D-02           4.103020D-01
            D    1   1.00
                  5.188400D-02           1.000000D+00
            D    1   1.00
                  1.726000D-02           1.000000D+00
            F    2   1.00
                  1.227400D+00           3.581580D-01
                  2.788000D-01           8.257940D-01
            F    1   1.00
                  8.266000D-02           1.000000D+00
            ****
            -V     0
            S    20   1.00
                  3.321857D+06           8.039999D-06
                  4.974356D+05           6.251402D-05
                  1.132027D+05           3.286553D-04
                  3.206333D+04           1.385697D-03
                  1.045962D+04           5.016217D-03
                  3.775506D+03           1.606931D-02
                  1.472040D+03           4.574242D-02
                  6.099331D+02           1.128544D-01
                  2.652634D+02           2.254344D-01
                  1.198607D+02           3.140461D-01
                  5.544891D+01           2.267819D-01
                  2.498372D+01           7.334069D-02
                  1.188056D+01           1.102474D-01
                  5.660311D+00           1.131358D-01
                  2.495703D+00           1.971295D-02
                  1.177866D+00          -4.719088D-04
                  5.200440D-01           1.861606D-04
                  1.159650D-01          -6.208598D-05
                  5.893800D-02           7.295314D-05
                  2.694600D-02          -6.362062D-06
            S    20   1.00
                  3.321857D+06          -4.503003D-06
                  4.974356D+05          -3.501295D-05
                  1.132027D+05          -1.841339D-04
                  3.206333D+04          -7.769216D-04
                  1.045962D+04          -2.819505D-03
                  3.775506D+03          -9.087486D-03
                  1.472040D+03          -2.627134D-02
                  6.099331D+02          -6.712726D-02
                  2.652634D+02          -1.451130D-01
                  1.198607D+02          -2.412483D-01
                  5.544891D+01          -2.416314D-01
                  2.498372D+01           3.067362D-02
                  1.188056D+01           4.970415D-01
                  5.660311D+00           4.958875D-01
                  2.495703D+00           9.181868D-02
                  1.177866D+00          -5.392514D-03
                  5.200440D-01           7.102380D-04
                  1.159650D-01          -6.363128D-04
                  5.893800D-02           5.979932D-04
                  2.694600D-02          -1.100879D-04
            S    20   1.00
                  3.321857D+06           9.320648D-07
                  4.974356D+05           7.249306D-06
                  1.132027D+05           3.811967D-05
                  3.206333D+04           1.610238D-04
                  1.045962D+04           5.852210D-04
                  3.775506D+03           1.897502D-03
                  1.472040D+03           5.550909D-03
                  6.099331D+02           1.460584D-02
                  2.652634D+02           3.342974D-02
                  1.198607D+02           6.235722D-02
                  5.544891D+01           7.312435D-02
                  2.498372D+01          -1.911472D-02
                  1.188056D+01          -2.817249D-01
                  5.660311D+00          -4.488151D-01
                  2.495703D+00           9.202696D-02
                  1.177866D+00           7.110117D-01
                  5.200440D-01           4.309274D-01
                  1.159650D-01           2.604589D-02
                  5.893800D-02          -1.101049D-02
                  2.694600D-02           4.106300D-03
            S    20   1.00
                  3.321857D+06          -2.158944D-07
                  4.974356D+05          -1.678519D-06
                  1.132027D+05          -8.831213D-06
                  3.206333D+04          -3.727769D-05
                  1.045962D+04          -1.356099D-04
                  3.775506D+03          -4.392351D-04
                  1.472040D+03          -1.286948D-03
                  6.099331D+02          -3.382149D-03
                  2.652634D+02          -7.765646D-03
                  1.198607D+02          -1.447985D-02
                  5.544891D+01          -1.715502D-02
                  2.498372D+01           4.610101D-03
                  1.188056D+01           6.827831D-02
                  5.660311D+00           1.161368D-01
                  2.495703D+00          -3.277049D-02
                  1.177866D+00          -2.280000D-01
                  5.200440D-01          -2.793991D-01
                  1.159650D-01           2.771165D-01
                  5.893800D-02           5.852999D-01
                  2.694600D-02           2.963946D-01
            S    20   1.00
                  3.321857D+06          -4.093416D-07
                  4.974356D+05          -3.258956D-06
                  1.132027D+05          -1.656390D-05
                  3.206333D+04          -7.316689D-05
                  1.045962D+04          -2.512784D-04
                  3.775506D+03          -8.732657D-04
                  1.472040D+03          -2.347654D-03
                  6.099331D+02          -6.853150D-03
                  2.652634D+02          -1.376420D-02
                  1.198607D+02          -3.084679D-02
                  5.544891D+01          -2.562208D-02
                  2.498372D+01          -1.005123D-02
                  1.188056D+01           1.795330D-01
                  5.660311D+00           1.522400D-01
                  2.495703D+00           9.483887D-02
                  1.177866D+00          -1.014876D+00
                  5.200440D-01           2.308810D-01
                  1.159650D-01           2.113321D+00
                  5.893800D-02          -1.253048D+00
                  2.694600D-02          -6.139502D-01
            S    1   1.00
                  2.694600D-02           1.000000D+00
            S    1   1.00
                  1.232000D-02           1.000000D+00
            P    16   1.00
                  1.327320D+04           4.300000D-05
                  3.142126D+03           3.840000D-04
                  1.020588D+03           2.210000D-03
                  3.904407D+02           9.678000D-03
                  1.655043D+02           3.393600D-02
                  7.532006D+01           9.591700D-02
                  3.605503D+01           2.088530D-01
                  1.780436D+01           3.306600D-01
                  9.002929D+00           3.323120D-01
                  4.594544D+00           1.581880D-01
                  2.276760D+00           2.225200D-02
                  1.101178D+00          -1.565000D-03
                  5.186380D-01          -1.353000D-03
                  2.005650D-01          -2.650000D-04
                  8.129100D-02           2.900000D-05
                  3.179500D-02          -1.100000D-05
            P    16   1.00
                  1.327320D+04          -1.500000D-05
                  3.142126D+03          -1.310000D-04
                  1.020588D+03          -7.550000D-04
                  3.904407D+02          -3.325000D-03
                  1.655043D+02          -1.181100D-02
                  7.532006D+01          -3.425600D-02
                  3.605503D+01          -7.736300D-02
                  1.780436D+01          -1.284560D-01
                  9.002929D+00          -1.350780D-01
                  4.594544D+00           2.083800D-02
                  2.276760D+00           3.204990D-01
                  1.101178D+00           4.602600D-01
                  5.186380D-01           2.953460D-01
                  2.005650D-01           4.904600D-02
                  8.129100D-02          -3.824000D-03
                  3.179500D-02           1.585000D-03
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.200000D-05
                  1.020588D+03           1.830000D-04
                  3.904407D+02           8.020000D-04
                  1.655043D+02           2.862000D-03
                  7.532006D+01           8.287000D-03
                  3.605503D+01           1.887000D-02
                  1.780436D+01           3.130700D-02
                  9.002929D+00           3.366000D-02
                  4.594544D+00          -9.479000D-03
                  2.276760D+00          -9.231300D-02
                  1.101178D+00          -1.489890D-01
                  5.186380D-01          -8.364400D-02
                  2.005650D-01           2.493390D-01
                  8.129100D-02           5.805150D-01
                  3.179500D-02           3.223800D-01
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.900000D-05
                  1.020588D+03           2.230000D-04
                  3.904407D+02           9.960000D-04
                  1.655043D+02           3.498000D-03
                  7.532006D+01           1.029600D-02
                  3.605503D+01           2.296200D-02
                  1.780436D+01           3.920800D-02
                  9.002929D+00           3.994300D-02
                  4.594544D+00          -7.121000D-03
                  2.276760D+00          -1.162250D-01
                  1.101178D+00          -1.694960D-01
                  5.186380D-01          -1.553740D-01
                  2.005650D-01           3.950220D-01
                  8.129100D-02           6.789080D-01
                  3.179500D-02           8.312200D-02
            P    1   1.00
                  3.179500D-02           1.000000D+00
            P    1   1.00
                  1.244000D-02           1.000000D+00
            D    8   1.00
                  7.761150D+01           3.595000D-03
                  2.291590D+01           2.521000D-02
                  8.279540D+00           9.478600D-02
                  3.309930D+00           2.303630D-01
                  1.358630D+00           3.528940D-01
                  5.413500D-01           3.704140D-01
                  2.023560D-01           2.457180D-01
                  6.756800D-02           6.099300D-02
            D    8   1.00
                  7.761150D+01          -3.818000D-03
                  2.291590D+01          -2.671700D-02
                  8.279540D+00          -1.036900D-01
                  3.309930D+00          -2.476890D-01
                  1.358630D+00          -3.115230D-01
                  5.413500D-01          -2.282700D-02
                  2.023560D-01           5.697260D-01
                  6.756800D-02           4.194930D-01
            D    1   1.00
                  6.756800D-02           1.000000D+00
            D    1   1.00
                  2.256000D-02           1.000000D+00
            F    2   1.00
                  1.748800D+00           3.900680D-01
                  4.057000D-01           8.008410D-01
            F    1   1.00
                  1.311200D-01           1.000000D+00
            ****
            -Cr     0
            S    20   1.00
                  6.177194D+06           4.128667D-06
                  9.249295D+05           3.210767D-05
                  2.104865D+05           1.688416D-04
                  5.962005D+04           7.128520D-04
                  1.945076D+04           2.589325D-03
                  7.022056D+03           8.377350D-03
                  2.738763D+03           2.441725D-02
                  1.135814D+03           6.365135D-02
                  4.950923D+02           1.427618D-01
                  2.247487D+02           2.541275D-01
                  1.053836D+02           3.009512D-01
                  5.019359D+01           1.766513D-01
                  2.224957D+01           6.936709D-02
                  1.098265D+01           1.179579D-01
                  5.383665D+00           8.916187D-02
                  2.343685D+00           1.103630D-02
                  1.105202D+00          -3.546048D-04
                  4.878480D-01           1.057311D-04
                  8.959900D-02           1.114640D-05
                  3.342300D-02           2.661387D-05
            S    20   1.00
                  6.177194D+06          -2.301772D-06
                  9.249295D+05          -1.789536D-05
                  2.104865D+05          -9.416174D-05
                  5.962005D+04          -3.975074D-04
                  1.945076D+04          -1.447025D-03
                  7.022056D+03          -4.694622D-03
                  2.738763D+03          -1.382387D-02
                  1.135814D+03          -3.674643D-02
                  4.950923D+02          -8.647185D-02
                  2.247487D+02          -1.696735D-01
                  1.053836D+02          -2.507089D-01
                  5.019359D+01          -1.961156D-01
                  2.224957D+01           1.457244D-01
                  1.098265D+01           5.466706D-01
                  5.383665D+00           3.979434D-01
                  2.343685D+00           5.277007D-02
                  1.105202D+00          -4.374537D-03
                  4.878480D-01           3.204035D-04
                  8.959900D-02          -5.142077D-05
                  3.342300D-02           1.584134D-04
            S    20   1.00
                  6.177194D+06           4.862957D-07
                  9.249295D+05           3.776645D-06
                  2.104865D+05           1.990664D-05
                  5.962005D+04           8.389164D-05
                  1.945076D+04           3.065706D-04
                  7.022056D+03           9.944107D-04
                  2.738763D+03           2.961959D-03
                  1.135814D+03           7.969473D-03
                  4.950923D+02           1.955017D-02
                  2.247487D+02           4.085035D-02
                  1.053836D+02           6.929003D-02
                  5.019359D+01           6.146984D-02
                  2.224957D+01          -6.981302D-02
                  1.098265D+01          -3.517597D-01
                  5.383665D+00          -3.828629D-01
                  2.343685D+00           2.676401D-01
                  1.105202D+00           7.175950D-01
                  4.878480D-01           3.020814D-01
                  8.959900D-02           7.749514D-03
                  3.342300D-02           2.696096D-04
            S    20   1.00
                  6.177194D+06          -1.102451D-07
                  9.249295D+05          -8.530233D-07
                  2.104865D+05          -4.520358D-06
                  5.962005D+04          -1.891612D-05
                  1.945076D+04          -6.974344D-05
                  7.022056D+03          -2.237867D-04
                  2.738763D+03          -6.754503D-04
                  1.135814D+03          -1.789346D-03
                  4.950923D+02          -4.477858D-03
                  2.247487D+02          -9.140144D-03
                  1.053836D+02          -1.610562D-02
                  5.019359D+01          -1.334870D-02
                  2.224957D+01           1.426027D-02
                  1.098265D+01           8.931690D-02
                  5.383665D+00           8.885279D-02
                  2.343685D+00          -6.368776D-02
                  1.105202D+00          -2.783262D-01
                  4.878480D-01          -1.830071D-01
                  8.959900D-02           6.790937D-01
                  3.342300D-02           4.672953D-01
            S    20   1.00
                  6.177194D+06           2.179893D-07
                  9.249295D+05           1.612940D-06
                  2.104865D+05           9.111842D-06
                  5.962005D+04           3.500645D-05
                  1.945076D+04           1.435315D-04
                  7.022056D+03           4.035896D-04
                  2.738763D+03           1.425177D-03
                  1.135814D+03           3.114009D-03
                  4.950923D+02           9.814449D-03
                  2.247487D+02           1.474698D-02
                  1.053836D+02           3.911512D-02
                  5.019359D+01           9.170888D-03
                  2.224957D+01           1.559878D-02
                  1.098265D+01          -2.816844D-01
                  5.383665D+00          -6.895261D-03
                  2.343685D+00          -1.769781D-01
                  1.105202D+00           1.443061D+00
                  4.878480D-01          -1.029318D+00
                  8.959900D-02          -1.307667D+00
                  3.342300D-02           1.503842D+00
            S    1   1.00
                  3.342300D-02           1.000000D+00
            S    1   1.00
                  1.247000D-02           1.000000D+00
            P    16   1.00
                  1.445420D+04           4.400000D-05
                  3.421676D+03           3.890000D-04
                  1.111387D+03           2.241000D-03
                  4.251918D+02           9.821000D-03
                  1.802623D+02           3.447100D-02
                  8.206117D+01           9.746000D-02
                  3.929726D+01           2.119850D-01
                  1.941959D+01           3.339900D-01
                  9.828899D+00           3.301370D-01
                  5.016810D+00           1.522270D-01
                  2.487091D+00           2.042500D-02
                  1.198780D+00          -1.360000D-03
                  5.586950D-01          -1.195000D-03
                  2.089240D-01          -1.970000D-04
                  8.460800D-02           2.300000D-05
                  3.325800D-02          -9.000000D-06
            P    16   1.00
                  1.445420D+04          -1.500000D-05
                  3.421676D+03          -1.350000D-04
                  1.111387D+03          -7.770000D-04
                  4.251918D+02          -3.427000D-03
                  1.802623D+02          -1.218900D-02
                  8.206117D+01          -3.538800D-02
                  3.929726D+01          -7.991500D-02
                  1.941959D+01          -1.323350D-01
                  9.828899D+00          -1.354010D-01
                  5.016810D+00           3.200800D-02
                  2.487091D+00           3.338490D-01
                  1.198780D+00           4.617730D-01
                  5.586950D-01           2.812900D-01
                  2.089240D-01           4.184300D-02
                  8.460800D-02          -4.002000D-03
                  3.325800D-02           1.521000D-03
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           3.200000D-05
                  1.111387D+03           1.850000D-04
                  4.251918D+02           8.100000D-04
                  1.802623D+02           2.906000D-03
                  8.206117D+01           8.391000D-03
                  3.929726D+01           1.919300D-02
                  1.941959D+01           3.156400D-02
                  9.828899D+00           3.341700D-02
                  5.016810D+00          -1.290700D-02
                  2.487091D+00          -9.365900D-02
                  1.198780D+00          -1.499770D-01
                  5.586950D-01          -6.723400D-02
                  2.089240D-01           2.707590D-01
                  8.460800D-02           5.758070D-01
                  3.325800D-02           3.011210D-01
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           4.000000D-05
                  1.111387D+03           2.290000D-04
                  4.251918D+02           1.019000D-03
                  1.802623D+02           3.602000D-03
                  8.206117D+01           1.055000D-02
                  3.929726D+01           2.370200D-02
                  1.941959D+01           3.998800D-02
                  9.828899D+00           4.043700D-02
                  5.016810D+00          -1.207400D-02
                  2.487091D+00          -1.189390D-01
                  1.198780D+00          -1.781000D-01
                  5.586950D-01          -1.238650D-01
                  2.089240D-01           4.297220D-01
                  8.460800D-02           6.507860D-01
                  3.325800D-02           6.417100D-02
            P    1   1.00
                  3.325800D-02           1.000000D+00
            P    1   1.00
                  1.307000D-02           1.000000D+00
            D    8   1.00
                  8.857680D+01           3.621000D-03
                  2.620450D+01           2.576600D-02
                  9.517470D+00           9.755600D-02
                  3.822480D+00           2.363120D-01
                  1.575120D+00           3.582860D-01
                  6.289280D-01           3.685430D-01
                  2.344240D-01           2.354940D-01
                  7.681500D-02           5.315600D-02
            D    8   1.00
                  8.857680D+01          -4.122000D-03
                  2.620450D+01          -2.930700D-02
                  9.517470D+00          -1.150620D-01
                  3.822480D+00          -2.730680D-01
                  1.575120D+00          -3.144230D-01
                  6.289280D-01           4.209700D-02
                  2.344240D-01           5.914030D-01
                  7.681500D-02           3.582150D-01
            D    1   1.00
                  7.681500D-02           1.000000D+00
            D    1   1.00
                  2.517000D-02           1.000000D+00
            F    2   1.00
                  2.221100D+00           4.235450D-01
                  5.231000D-01           7.741140D-01
            F    1   1.00
                  1.763600D-01           1.000000D+00
            ****
            -Mn     0
            S    20   1.00
                  3.960805D+06           8.242127D-06
                  5.931155D+05           6.408587D-05
                  1.349768D+05           3.369253D-04
                  3.823067D+04           1.420648D-03
                  1.247154D+04           5.143683D-03
                  4.501743D+03           1.648569D-02
                  1.755212D+03           4.698560D-02
                  7.273039D+02           1.162437D-01
                  3.163678D+02           2.335277D-01
                  1.430098D+02           3.292837D-01
                  6.621805D+01           2.440304D-01
                  2.991896D+01           7.219806D-02
                  1.430318D+01           7.687806D-02
                  6.839451D+00           7.852235D-02
                  3.012374D+00           1.294109D-02
                  1.418808D+00          -3.784873D-04
                  6.236240D-01          -2.503203D-05
                  1.340980D-01          -2.421517D-05
                  6.554800D-02           3.462071D-05
                  2.958400D-02           4.261482D-07
            S    20   1.00
                  3.960805D+06          -3.936095D-06
                  5.931155D+05          -3.060481D-05
                  1.349768D+05          -1.609626D-04
                  3.823067D+04          -6.792348D-04
                  1.247154D+04          -2.466182D-03
                  4.501743D+03          -7.957629D-03
                  1.755212D+03          -2.307248D-02
                  7.273039D+02          -5.932956D-02
                  3.163678D+02          -1.299451D-01
                  1.430098D+02          -2.212352D-01
                  6.621805D+01          -2.292550D-01
                  2.991896D+01           3.580733D-02
                  1.430318D+01           5.107602D-01
                  6.839451D+00           5.008307D-01
                  3.012374D+00           9.011830D-02
                  1.418808D+00          -6.909909D-03
                  6.236240D-01          -1.912925D-04
                  1.340980D-01          -6.032312D-04
                  6.554800D-02           5.621608D-04
                  2.958400D-02          -1.021109D-04
            S    20   1.00
                  3.960805D+06           9.462709D-07
                  5.931155D+05           7.360584D-06
                  1.349768D+05           3.869935D-05
                  3.823067D+04           1.635110D-04
                  1.247154D+04           5.941775D-04
                  4.501743D+03           1.927737D-03
                  1.755212D+03           5.641731D-03
                  7.273039D+02           1.487848D-02
                  3.163678D+02           3.414783D-02
                  1.430098D+02           6.405794D-02
                  6.621805D+01           7.557659D-02
                  2.991896D+01          -1.946070D-02
                  1.430318D+01          -2.957874D-01
                  6.839451D+00          -4.521170D-01
                  3.012374D+00           1.224531D-01
                  1.418808D+00           7.169756D-01
                  6.236240D-01           4.092712D-01
                  1.340980D-01           2.221969D-02
                  6.554800D-02          -9.011202D-03
                  2.958400D-02           3.691727D-03
            S    20   1.00
                  3.960805D+06          -2.095391D-07
                  5.931155D+05          -1.629439D-06
                  1.349768D+05          -8.570592D-06
                  3.823067D+04          -3.619272D-05
                  1.247154D+04          -1.316146D-04
                  4.501743D+03          -4.266810D-04
                  1.755212D+03          -1.250270D-03
                  7.273039D+02          -3.294665D-03
                  3.163678D+02          -7.581860D-03
                  1.430098D+02          -1.422864D-02
                  6.621805D+01          -1.693796D-02
                  2.991896D+01           4.454298D-03
                  1.430318D+01           6.867042D-02
                  6.839451D+00           1.113335D-01
                  3.012374D+00          -3.900820D-02
                  1.418808D+00          -2.215755D-01
                  6.236240D-01          -2.544359D-01
                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
                  2.958400D-02           2.898778D-01
            S    20   1.00
                  3.960805D+06          -4.121231D-07
                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
                  3.823067D+04          -7.369999D-05
                  1.247154D+04          -2.529495D-04
                  4.501743D+03          -8.801425D-04
                  1.755212D+03          -2.365482D-03
                  7.273039D+02          -6.926354D-03
                  3.163678D+02          -1.393851D-02
                  1.430098D+02          -3.143840D-02
                  6.621805D+01          -2.625749D-02
                  2.991896D+01          -1.048313D-02
                  1.430318D+01           1.856472D-01
                  6.839451D+00           1.524839D-01
                  3.012374D+00           7.411368D-02
                  1.418808D+00          -1.018097D+00
                  6.236240D-01           2.980372D-01
                  1.340980D-01           1.971989D+00
                  6.554800D-02          -1.179253D+00
                  2.958400D-02          -5.837703D-01
            S    1   1.00
                  2.958400D-02           1.000000D+00
            S    1   1.00
                  1.335000D-02           1.000000D+00
            P    16   1.00
                  1.620586D+04           4.200000D-05
                  3.836274D+03           3.730000D-04
                  1.246048D+03           2.149000D-03
                  4.767535D+02           9.445000D-03
                  2.021895D+02           3.329700D-02
                  9.209487D+01           9.475900D-02
                  4.414720D+01           2.081440D-01
                  2.185468D+01           3.318050D-01
                  1.108596D+01           3.331750D-01
                  5.674108D+00           1.576010D-01
                  2.823170D+00           2.144500D-02
                  1.368621D+00          -2.558000D-03
                  6.444310D-01          -2.027000D-03
                  2.483820D-01          -3.600000D-04
                  9.725500D-02           3.400000D-05
                  3.663300D-02          -1.300000D-05
            P    16   1.00
                  1.620586D+04          -1.500000D-05
                  3.836274D+03          -1.290000D-04
                  1.246048D+03          -7.480000D-04
                  4.767535D+02          -3.308000D-03
                  2.021895D+02          -1.181100D-02
                  9.209487D+01          -3.453300D-02
                  4.414720D+01          -7.878500D-02
                  2.185468D+01          -1.321830D-01
                  1.108596D+01          -1.371950D-01
                  5.674108D+00           2.707500D-02
                  2.823170D+00           3.288910D-01
                  1.368621D+00           4.572800D-01
                  6.444310D-01           2.889080D-01
                  2.483820D-01           4.743300D-02
                  9.725500D-02          -3.522000D-03
                  3.663300D-02           1.456000D-03
            P    16   1.00
                  1.620586D+04           3.000000D-06
                  3.836274D+03           3.000000D-05
                  1.246048D+03           1.720000D-04
                  4.767535D+02           7.620000D-04
                  2.021895D+02           2.726000D-03
                  9.209487D+01           7.976000D-03
                  4.414720D+01           1.828700D-02
                  2.185468D+01           3.077600D-02
                  1.108596D+01           3.237300D-02
                  5.674108D+00          -9.978000D-03
                  2.823170D+00          -9.052900D-02
                  1.368621D+00          -1.380040D-01
                  6.444310D-01          -7.796500D-02
                  2.483820D-01           2.295600D-01
                  9.725500D-02           5.761220D-01
                  3.663300D-02           3.485380D-01
            P    16   1.00
                  1.620586D+04           4.000000D-06
                  3.836274D+03           4.000000D-05
                  1.246048D+03           2.260000D-04
                  4.767535D+02           1.013000D-03
                  2.021895D+02           3.575000D-03
                  9.209487D+01           1.061200D-02
                  4.414720D+01           2.390200D-02
                  2.185468D+01           4.127900D-02
                  1.108596D+01           4.147500D-02
                  5.674108D+00          -9.458000D-03
                  2.823170D+00          -1.236950D-01
                  1.368621D+00          -1.743920D-01
                  6.444310D-01          -1.291700D-01
                  2.483820D-01           4.003480D-01
                  9.725500D-02           6.696460D-01
                  3.663300D-02           8.273200D-02
            P    1   1.00
                  3.663300D-02           1.000000D+00
            P    1   1.00
                  1.380000D-02           1.000000D+00
            D    8   1.00
                  1.006630D+02           3.579000D-03
                  2.983360D+01           2.582700D-02
                  1.088940D+01           9.855900D-02
                  4.393580D+00           2.383270D-01
                  1.817820D+00           3.587070D-01
                  7.278270D-01           3.650920D-01
                  2.712950D-01           2.337380D-01
                  8.830900D-02           5.661800D-02
            D    8   1.00
                  1.006630D+02          -3.454000D-03
                  2.983360D+01          -2.492500D-02
                  1.088940D+01          -9.763500D-02
                  4.393580D+00          -2.366920D-01
                  1.817820D+00          -2.923500D-01
                  7.278270D-01          -4.973000D-03
                  2.712950D-01           5.065880D-01
                  8.830900D-02           4.979510D-01
            D    1   1.00
                  8.830900D-02           1.000000D+00
            D    1   1.00
                  2.875000D-02           1.000000D+00
            F    2   1.00
                  2.703200D+00           4.267760D-01
                  6.438000D-01           7.697990D-01
            F    1   1.00
                  2.226000D-01           1.000000D+00
            ****
            -Fe     0
            S    20   1.00
                  4.316265D+06           8.048803D-06
                  6.463424D+05           6.258306D-05
                  1.470897D+05           3.290239D-04
                  4.166152D+04           1.387355D-03
                  1.359077D+04           5.023256D-03
                  4.905750D+03           1.610140D-02
                  1.912746D+03           4.590034D-02
                  7.926043D+02           1.136154D-01
                  3.448065D+02           2.283869D-01
                  1.558999D+02           3.221159D-01
                  7.223091D+01           2.383661D-01
                  3.272506D+01           7.404667D-02
                  1.566762D+01           9.214197D-02
                  7.503483D+00           9.339790D-02
                  3.312223D+00           1.573965D-02
                  1.558471D+00          -4.186682D-04
                  6.839140D-01           5.376318D-05
                  1.467570D-01          -3.816654D-05
                  7.058300D-02           4.319603D-05
                  3.144900D-02          -3.401019D-06
            S    20   1.00
                  4.316265D+06          -4.155954D-06
                  6.463424D+05          -3.231401D-05
                  1.470897D+05          -1.699525D-04
                  4.166152D+04          -7.171369D-04
                  1.359077D+04          -2.603625D-03
                  4.905750D+03          -8.399109D-03
                  1.912746D+03          -2.434109D-02
                  7.926043D+02          -6.251948D-02
                  3.448065D+02          -1.365929D-01
                  1.558999D+02          -2.312707D-01
                  7.223091D+01          -2.383734D-01
                  3.272506D+01           3.123837D-02
                  1.566762D+01           5.086818D-01
                  7.503483D+00           4.987695D-01
                  3.312223D+00           9.033552D-02
                  1.558471D+00          -6.005337D-03
                  6.839140D-01           2.312454D-04
                  1.467570D-01          -5.643680D-04
                  7.058300D-02           4.992260D-04
                  3.144900D-02          -1.015293D-04
            S    20   1.00
                  4.316265D+06           9.532178D-07
                  6.463424D+05           7.414605D-06
                  1.470897D+05           3.898393D-05
                  4.166152D+04           1.647152D-04
                  1.359077D+04           5.985980D-04
                  4.905750D+03           1.942390D-03
                  1.912746D+03           5.687237D-03
                  7.926043D+02           1.501329D-02
                  3.448065D+02           3.452455D-02
                  1.558999D+02           6.495820D-02
                  7.223091D+01           7.716194D-02
                  3.272506D+01          -1.873411D-02
                  1.566762D+01          -3.009185D-01
                  7.503483D+00          -4.554661D-01
                  3.312223D+00           1.286463D-01
                  1.558471D+00           7.183316D-01
                  6.839140D-01           4.051743D-01
                  1.467570D-01           2.168227D-02
                  7.058300D-02          -8.343566D-03
                  3.144900D-02           3.658979D-03
            S    20   1.00
                  4.316265D+06          -2.063008D-07
                  6.463424D+05          -1.604169D-06
                  1.470897D+05          -8.438437D-06
                  4.166152D+04          -3.563151D-05
                  1.359077D+04          -1.295998D-04
                  4.905750D+03          -4.201534D-04
                  1.912746D+03          -1.231954D-03
                  7.926043D+02          -3.248922D-03
                  3.448065D+02          -7.493717D-03
                  1.558999D+02          -1.410102D-02
                  7.223091D+01          -1.691600D-02
                  3.272506D+01           4.218996D-03
                  1.566762D+01           6.833810D-02
                  7.503483D+00           1.098201D-01
                  3.312223D+00          -4.009005D-02
                  1.558471D+00          -2.174739D-01
                  6.839140D-01          -2.465135D-01
                  1.467570D-01           2.731435D-01
                  7.058300D-02           5.748321D-01
                  3.144900D-02           3.012713D-01
            S    20   1.00
                  4.316265D+06          -4.009367D-07
                  6.463424D+05          -3.189255D-06
                  1.470897D+05          -1.623079D-05
                  4.166152D+04          -7.157920D-05
                  1.359077D+04          -2.463958D-04
                  4.905750D+03          -8.544907D-04
                  1.912746D+03          -2.307593D-03
                  7.926043D+02          -6.728292D-03
                  3.448065D+02          -1.366165D-02
                  1.558999D+02          -3.062240D-02
                  7.223091D+01          -2.631137D-02
                  3.272506D+01          -9.760183D-03
                  1.566762D+01           1.801906D-01
                  7.503483D+00           1.529634D-01
                  3.312223D+00           5.505413D-02
                  1.558471D+00          -9.551364D-01
                  6.839140D-01           2.586813D-01
                  1.467570D-01           1.834049D+00
                  7.058300D-02          -9.333240D-01
                  3.144900D-02          -6.981605D-01
            S    1   1.00
                  3.144900D-02           1.000000D+00
            S    1   1.00
                  1.401000D-02           1.000000D+00
            P    16   1.00
                  1.774569D+04           4.100000D-05
                  4.200721D+03           3.690000D-04
                  1.364429D+03           2.129000D-03
                  5.220806D+02           9.369000D-03
                  2.214595D+02           3.309700D-02
                  1.009096D+02           9.443100D-02
                  4.840115D+01           2.080770D-01
                  2.398536D+01           3.323330D-01
                  1.218250D+01           3.329870D-01
                  6.242298D+00           1.568430D-01
                  3.110944D+00           2.154900D-02
                  1.509958D+00          -2.095000D-03
                  7.108450D-01          -1.739000D-03
                  2.731900D-01          -3.000000D-04
                  1.042330D-01           2.900000D-05
                  3.829100D-02          -1.100000D-05
            P    16   1.00
                  1.774569D+04          -1.500000D-05
                  4.200721D+03          -1.300000D-04
                  1.364429D+03          -7.510000D-04
                  5.220806D+02          -3.329000D-03
                  2.214595D+02          -1.191200D-02
                  1.009096D+02          -3.493300D-02
                  4.840115D+01          -7.998900D-02
                  2.398536D+01          -1.346360D-01
                  1.218250D+01          -1.385980D-01
                  6.242298D+00           3.027800D-02
                  3.110944D+00           3.332160D-01
                  1.509958D+00           4.561530D-01
                  7.108450D-01           2.850510D-01
                  2.731900D-01           4.614400D-02
                  1.042330D-01          -3.249000D-03
                  3.829100D-02           1.357000D-03
            P    16   1.00
                  1.774569D+04           3.000000D-06
                  4.200721D+03           2.900000D-05
                  1.364429D+03           1.650000D-04
                  5.220806D+02           7.340000D-04
                  2.214595D+02           2.626000D-03
                  1.009096D+02           7.725000D-03
                  4.840115D+01           1.773300D-02
                  2.398536D+01           3.005500D-02
                  1.218250D+01           3.109400D-02
                  6.242298D+00          -1.004800D-02
                  3.110944D+00          -8.830600D-02
                  1.509958D+00          -1.298240D-01
                  7.108450D-01          -7.693700D-02
                  2.731900D-01           2.126610D-01
                  1.042330D-01           5.730610D-01
                  3.829100D-02           3.696510D-01
            P    16   1.00
                  1.774569D+04           5.000000D-06
                  4.200721D+03           4.200000D-05
                  1.364429D+03           2.410000D-04
                  5.220806D+02           1.085000D-03
                  2.214595D+02           3.831000D-03
                  1.009096D+02           1.142300D-02
                  4.840115D+01           2.579200D-02
                  2.398536D+01           4.481800D-02
                  1.218250D+01           4.459800D-02
                  6.242298D+00          -1.117700D-02
                  3.110944D+00          -1.381340D-01
                  1.509958D+00          -1.882850D-01
                  7.108450D-01          -1.073990D-01
                  2.731900D-01           4.448630D-01
                  1.042330D-01           6.402390D-01
                  3.829100D-02           6.445700D-02
            P    1   1.00
                  3.829100D-02           1.000000D+00
            P    1   1.00
                  1.407000D-02           1.000000D+00
            D    8   1.00
                  1.133440D+02           3.530000D-03
                  3.364140D+01           2.578400D-02
                  1.233100D+01           9.911900D-02
                  4.994780D+00           2.390730D-01
                  2.072800D+00           3.571990D-01
                  8.307530D-01           3.621880D-01
                  3.091780D-01           2.364610D-01
                  1.001300D-01           6.011800D-02
            D    8   1.00
                  1.133440D+02          -3.890000D-03
                  3.364140D+01          -2.844200D-02
                  1.233100D+01          -1.124290D-01
                  4.994780D+00          -2.742570D-01
                  2.072800D+00          -3.155460D-01
                  8.307530D-01           5.710900D-02
                  3.091780D-01           5.636040D-01
                  1.001300D-01           3.846370D-01
            D    1   1.00
                  1.001300D-01           1.000000D+00
            D    1   1.00
                  3.243000D-02           1.000000D+00
            F    2   1.00
                  3.224300D+00           4.222490D-01
                  7.758000D-01           7.714680D-01
            F    1   1.00
                  2.749000D-01           1.000000D+00
            ****
            -Co     0
            S    20   1.00
                  4.675675D+06           7.979026D-06
                  7.001615D+05           6.204071D-05
                  1.593373D+05           3.261735D-04
                  4.513046D+04           1.375360D-03
                  1.472238D+04           4.979997D-03
                  5.314222D+03           1.596434D-02
                  2.072018D+03           4.552086D-02
                  8.586188D+02           1.127385D-01
                  3.735497D+02           2.268262D-01
                  1.689229D+02           3.203074D-01
                  7.829639D+01           2.374021D-01
                  3.552123D+01           7.477686D-02
                  1.704144D+01           9.581872D-02
                  8.173000D+00           9.649911D-02
                  3.610318D+00           1.623362D-02
                  1.697047D+00          -4.535497D-04
                  7.435320D-01           5.113519D-05
                  1.583440D-01          -4.174508D-05
                  7.503600D-02           4.027577D-05
                  3.309100D-02          -5.789067D-06
            S    20   1.00
                  4.675675D+06          -4.200240D-06
                  7.001615D+05          -3.265831D-05
                  1.593373D+05          -1.717644D-04
                  4.513046D+04          -7.247853D-04
                  1.472238D+04          -2.631462D-03
                  5.314222D+03          -8.489272D-03
                  2.072018D+03          -2.460619D-02
                  8.586188D+02          -6.322059D-02
                  3.735497D+02          -1.381957D-01
                  1.689229D+02          -2.340680D-01
                  7.829639D+01          -2.415002D-01
                  3.552123D+01           3.035312D-02
                  1.704144D+01           5.101341D-01
                  8.173000D+00           4.974939D-01
                  3.610318D+00           8.970746D-02
                  1.697047D+00          -5.941034D-03
                  7.435320D-01           2.175362D-04
                  1.583440D-01          -5.480155D-04
                  7.503600D-02           4.525804D-04
                  3.309100D-02          -1.066748D-04
            S    20   1.00
                  4.675675D+06           9.592692D-07
                  7.001615D+05           7.461851D-06
                  1.593373D+05           3.923137D-05
                  4.513046D+04           1.657706D-04
                  1.472238D+04           6.024335D-04
                  5.314222D+03           1.955217D-03
                  2.072018D+03           5.726326D-03
                  8.586188D+02           1.512984D-02
                  3.735497D+02           3.483973D-02
                  1.689229D+02           6.570351D-02
                  7.829639D+01           7.831503D-02
                  3.552123D+01          -1.877037D-02
                  1.704144D+01          -3.062663D-01
                  8.173000D+00          -4.566429D-01
                  3.610318D+00           1.378169D-01
                  1.697047D+00           7.193676D-01
                  7.435320D-01           3.992579D-01
                  1.583440D-01           2.079933D-02
                  7.503600D-02          -7.820663D-03
                  3.309100D-02           3.533911D-03
            S    20   1.00
                  4.675675D+06          -2.028840D-07
                  7.001615D+05          -1.577580D-06
                  1.593373D+05          -8.298813D-06
                  4.513046D+04          -3.504154D-05
                  1.472238D+04          -1.274655D-04
                  5.314222D+03          -4.132695D-04
                  2.072018D+03          -1.212261D-03
                  8.586188D+02          -3.199318D-03
                  3.735497D+02          -7.390972D-03
                  1.689229D+02          -1.393649D-02
                  7.829639D+01          -1.678575D-02
                  3.552123D+01           4.149856D-03
                  1.704144D+01           6.797646D-02
                  8.173000D+00           1.075807D-01
                  3.610318D+00          -4.166022D-02
                  1.697047D+00          -2.128044D-01
                  7.435320D-01          -2.381360D-01
                  1.583440D-01           2.650788D-01
                  7.503600D-02           5.722774D-01
                  3.309100D-02           3.091556D-01
            S    20   1.00
                  4.675675D+06          -3.863053D-07
                  7.001615D+05          -3.068788D-06
                  1.593373D+05          -1.564826D-05
                  4.513046D+04          -6.883588D-05
                  1.472238D+04          -2.377367D-04
                  5.314222D+03          -8.213173D-04
                  2.072018D+03          -2.229630D-03
                  8.586188D+02          -6.467841D-03
                  3.735497D+02          -1.325463D-02
                  1.689229D+02          -2.946686D-02
                  7.829639D+01          -2.599066D-02
                  3.552123D+01          -8.499807D-03
                  1.704144D+01           1.727316D-01
                  8.173000D+00           1.512189D-01
                  3.610318D+00           3.554509D-02
                  1.697047D+00          -8.829353D-01
                  7.435320D-01           2.143530D-01
                  1.583440D-01           1.711865D+00
                  7.503600D-02          -7.140037D-01
                  3.309100D-02          -8.027727D-01
            S    1   1.00
                  3.309100D-02           1.000000D+00
            S    1   1.00
                  1.459000D-02           1.000000D+00
            P    16   1.00
                  1.926778D+04           4.100000D-05
                  4.560986D+03           3.690000D-04
                  1.481436D+03           2.128000D-03
                  5.668671D+02           9.372000D-03
                  2.404910D+02           3.315500D-02
                  1.096105D+02           9.475200D-02
                  5.259491D+01           2.090930D-01
                  2.608361D+01           3.337220D-01
                  1.326143D+01           3.322080D-01
                  6.799778D+00           1.546130D-01
                  3.393414D+00           2.090200D-02
                  1.648766D+00          -2.024000D-03
                  7.762820D-01          -1.697000D-03
                  2.980030D-01          -2.800000D-04
                  1.136180D-01           2.600000D-05
                  4.162400D-02          -1.000000D-05
            P    16   1.00
                  1.926778D+04          -1.500000D-05
                  4.560986D+03          -1.310000D-04
                  1.481436D+03          -7.580000D-04
                  5.668671D+02          -3.363000D-03
                  2.404910D+02          -1.205400D-02
                  1.096105D+02          -3.542400D-02
                  5.259491D+01          -8.128700D-02
                  2.608361D+01          -1.369080D-01
                  1.326143D+01          -1.390190D-01
                  6.799778D+00           3.546800D-02
                  3.393414D+00           3.384980D-01
                  1.648766D+00           4.544330D-01
                  7.762820D-01           2.797930D-01
                  2.980030D-01           4.477600D-02
                  1.136180D-01          -3.151000D-03
                  4.162400D-02           1.317000D-03
            P    16   1.00
                  1.926778D+04          -3.000000D-06
                  4.560986D+03          -2.900000D-05
                  1.481436D+03          -1.670000D-04
                  5.668671D+02          -7.420000D-04
                  2.404910D+02          -2.662000D-03
                  1.096105D+02          -7.841000D-03
                  5.259491D+01          -1.805100D-02
                  2.608361D+01          -3.058000D-02
                  1.326143D+01          -3.131200D-02
                  6.799778D+00           1.131100D-02
                  3.393414D+00           8.999000D-02
                  1.648766D+00           1.307330D-01
                  7.762820D-01           7.180800D-02
                  2.980030D-01          -2.216580D-01
                  1.136180D-01          -5.710250D-01
                  4.162400D-02          -3.637890D-01
            P    16   1.00
                  1.926778D+04           5.000000D-06
                  4.560986D+03           4.500000D-05
                  1.481436D+03           2.550000D-04
                  5.668671D+02           1.144000D-03
                  2.404910D+02           4.061000D-03
                  1.096105D+02           1.209500D-02
                  5.259491D+01           2.747600D-02
                  2.608361D+01           4.755700D-02
                  1.326143D+01           4.730200D-02
                  6.799778D+00          -1.441800D-02
                  3.393414D+00          -1.500620D-01
                  1.648766D+00          -1.990920D-01
                  7.762820D-01          -7.978300D-02
                  2.980030D-01           4.590350D-01
                  1.136180D-01           6.174950D-01
                  4.162400D-02           6.469000D-02
            P    1   1.00
                  4.162400D-02           1.000000D+00
            P    1   1.00
                  1.525000D-02           1.000000D+00
            D    8   1.00
                  1.262640D+02           3.510000D-03
                  3.752260D+01           2.588400D-02
                  1.380210D+01           1.000580D-01
                  5.609270D+00           2.405470D-01
                  2.333690D+00           3.568430D-01
                  9.364150D-01           3.595790D-01
                  3.482370D-01           2.366290D-01
                  1.123530D-01           6.212900D-02
            D    8   1.00
                  1.262640D+02          -4.067000D-03
                  3.752260D+01          -3.005300D-02
                  1.380210D+01          -1.196200D-01
                  5.609270D+00          -2.915130D-01
                  2.333690D+00          -3.180480D-01
                  9.364150D-01           9.169800D-02
                  3.482370D-01           5.608230D-01
                  1.123530D-01           3.586780D-01
            D    1   1.00
                  1.123530D-01           1.000000D+00
            D    1   1.00
                  3.625000D-02           1.000000D+00
            F    2   1.00
                  3.772400D+00           4.239660D-01
                  9.170000D-01           7.684290D-01
            F    1   1.00
                  3.271500D-01           1.000000D+00
            ****
            -Ni     0
            S    20   1.00
                  5.045991D+06           8.208996D-06
                  7.556142D+05           6.382884D-05
                  1.719568D+05           3.355800D-04
                  4.870479D+04           1.415075D-03
                  1.588841D+04           5.124444D-03
                  5.735123D+03           1.643256D-02
                  2.236137D+03           4.689398D-02
                  9.266468D+02           1.163534D-01
                  4.031743D+02           2.350511D-01
                  1.823476D+02           3.350184D-01
                  8.454885D+01           2.534779D-01
                  3.839634D+01           7.300901D-02
                  1.845859D+01           6.184244D-02
                  8.863548D+00           6.302956D-02
                  3.916227D+00           1.008063D-02
                  1.838870D+00          -2.244528D-04
                  8.043620D-01          -5.932767D-05
                  1.697970D-01          -1.158562D-05
                  7.930600D-02           8.115109D-06
                  3.467700D-02          -1.681699D-06
            S    20   1.00
                  5.045991D+06          -3.657849D-06
                  7.556142D+05          -2.844094D-05
                  1.719568D+05          -1.495928D-04
                  4.870479D+04          -6.313009D-04
                  1.588841D+04          -2.293052D-03
                  5.735123D+03          -7.405123D-03
                  2.236137D+03          -2.152032D-02
                  9.266468D+02          -5.560974D-02
                  4.031743D+02          -1.230176D-01
                  1.823476D+02          -2.130104D-01
                  8.454885D+01          -2.265837D-01
                  3.839634D+01           3.546796D-02
                  1.845859D+01           5.181697D-01
                  8.863548D+00           5.025630D-01
                  3.916227D+00           8.955674D-02
                  1.838870D+00          -7.031311D-03
                  8.043620D-01          -4.339167D-04
                  1.697970D-01          -5.831711D-04
                  7.930600D-02           4.228788D-04
                  3.467700D-02          -1.266714D-04
            S    20   1.00
                  5.045991D+06           9.594149D-07
                  7.556142D+05           7.462614D-06
                  1.719568D+05           3.923843D-05
                  4.870479D+04           1.657868D-04
                  1.588841D+04           6.025905D-04
                  5.735123D+03           1.955662D-03
                  2.236137D+03           5.730391D-03
                  9.266468D+02           1.514756D-02
                  4.031743D+02           3.493499D-02
                  1.823476D+02           6.598072D-02
                  8.454885D+01           7.893083D-02
                  3.839634D+01          -1.906249D-02
                  1.845859D+01          -3.095921D-01
                  8.863548D+00          -4.558610D-01
                  3.916227D+00           1.482931D-01
                  1.838870D+00           7.134039D-01
                  8.043620D-01           3.976063D-01
                  1.697970D-01           2.295523D-02
                  7.930600D-02          -9.151758D-03
                  3.467700D-02           3.875414D-03
            S    20   1.00
                  5.045991D+06          -2.013753D-07
                  7.556142D+05          -1.565832D-06
                  1.719568D+05          -8.237182D-06
                  4.870479D+04          -3.478105D-05
                  1.588841D+04          -1.265265D-04
                  5.735123D+03          -4.102589D-04
                  2.236137D+03          -1.203834D-03
                  9.266468D+02          -3.179062D-03
                  4.031743D+02          -7.353828D-03
                  1.823476D+02          -1.389022D-02
                  8.454885D+01          -1.677875D-02
                  3.839634D+01           4.163378D-03
                  1.845859D+01           6.814703D-02
                  8.863548D+00           1.061029D-01
                  3.916227D+00          -4.339980D-02
                  1.838870D+00          -2.094950D-01
                  8.043620D-01          -2.310271D-01
                  1.697970D-01           2.590532D-01
                  7.930600D-02           5.691426D-01
                  3.467700D-02           3.158125D-01
            S    20   1.00
                  5.045991D+06          -3.924245D-07
                  7.556142D+05          -3.113909D-06
                  1.719568D+05          -1.590447D-05
                  4.870479D+04          -6.981394D-05
                  1.588841D+04          -2.417848D-04
                  5.735123D+03          -8.326195D-04
                  2.236137D+03          -2.270294D-03
                  9.266468D+02          -6.557427D-03
                  4.031743D+02          -1.354288D-02
                  1.823476D+02          -2.989768D-02
                  8.454885D+01          -2.693106D-02
                  3.839634D+01          -7.827693D-03
                  1.845859D+01           1.741667D-01
                  8.863548D+00           1.595468D-01
                  3.916227D+00           1.995550D-02
                  1.838870D+00          -8.897000D-01
                  8.043620D-01           2.486892D-01
                  1.697970D-01           1.613012D+00
                  7.930600D-02          -5.990277D-01
                  3.467700D-02          -8.369078D-01
            S    1   1.00
                  3.467700D-02           1.000000D+00
            S    1   1.00
                  1.516000D-02           1.000000D+00
            P    16   1.00
                  2.102792D+04           4.100000D-05
                  4.977560D+03           3.630000D-04
                  1.616740D+03           2.097000D-03
                  6.186718D+02           9.250000D-03
                  2.625183D+02           3.279600D-02
                  1.196907D+02           9.400400D-02
                  5.746585D+01           2.082800D-01
                  2.852829D+01           3.336540D-01
                  1.452148D+01           3.329040D-01
                  7.453850D+00           1.553720D-01
                  3.723553D+00           2.085900D-02
                  1.809813D+00          -2.440000D-03
                  8.513360D-01          -1.998000D-03
                  3.248140D-01          -3.380000D-04
                  1.195220D-01           3.500000D-05
                  4.236600D-02          -1.200000D-05
            P    16   1.00
                  2.102792D+04          -1.500000D-05
                  4.977560D+03          -1.290000D-04
                  1.616740D+03          -7.490000D-04
                  6.186718D+02          -3.328000D-03
                  2.625183D+02          -1.194700D-02
                  1.196907D+02          -3.524200D-02
                  5.746585D+01          -8.120400D-02
                  2.852829D+01          -1.374930D-01
                  1.452148D+01          -1.392260D-01
                  7.453850D+00           3.601600D-02
                  3.723553D+00           3.391280D-01
                  1.809813D+00           4.504720D-01
                  8.513360D-01           2.817830D-01
                  3.248140D-01           4.789800D-02
                  1.195220D-01          -2.987000D-03
                  4.236600D-02           1.309000D-03
            P    16   1.00
                  2.102792D+04           3.000000D-06
                  4.977560D+03           2.600000D-05
                  1.616740D+03           1.520000D-04
                  6.186718D+02           6.780000D-04
                  2.625183D+02           2.427000D-03
                  1.196907D+02           7.201000D-03
                  5.746585D+01           1.657800D-02
                  2.852829D+01           2.839200D-02
                  1.452148D+01           2.859900D-02
                  7.453850D+00          -1.013200D-02
                  3.723553D+00          -8.291200D-02
                  1.809813D+00          -1.159980D-01
                  8.513360D-01          -7.279500D-02
                  3.248140D-01           1.956400D-01
                  1.195220D-01           5.670990D-01
                  4.236600D-02           3.952700D-01
            P    16   1.00
                  2.102792D+04           6.000000D-06
                  4.977560D+03           5.300000D-05
                  1.616740D+03           3.050000D-04
                  6.186718D+02           1.364000D-03
                  2.625183D+02           4.876000D-03
                  1.196907D+02           1.450300D-02
                  5.746585D+01           3.329600D-02
                  2.852829D+01           5.748200D-02
                  1.452148D+01           5.870200D-02
                  7.453850D+00          -1.990400D-02
                  3.723553D+00          -1.946950D-01
                  1.809813D+00          -2.396130D-01
                  8.513360D-01          -2.232000D-03
                  3.248140D-01           5.214350D-01
                  1.195220D-01           5.455400D-01
                  4.236600D-02           4.362200D-02
            P    1   1.00
                  4.236600D-02           1.000000D+00
            P    1   1.00
                  1.502000D-02           1.000000D+00
            D    8   1.00
                  1.402527D+02           3.376000D-03
                  4.172610D+01           2.514100D-02
                  1.539810D+01           9.774600D-02
                  6.277100D+00           2.347090D-01
                  2.618500D+00           3.469450D-01
                  1.052600D+00           3.510680D-01
                  3.916000D-01           2.502550D-01
                  1.262000D-01           1.000820D-01
            D    8   1.00
                  1.402527D+02          -3.495000D-03
                  4.172610D+01          -2.601500D-02
                  1.539810D+01          -1.038760D-01
                  6.277100D+00          -2.520700D-01
                  2.618500D+00          -2.945800D-01
                  1.052600D+00           1.152000D-03
                  3.916000D-01           4.385890D-01
                  1.262000D-01           5.436260D-01
            D    1   1.00
                  1.262000D-01           1.000000D+00
            D    1   1.00
                  4.067000D-02           1.000000D+00
            F    2   1.00
                  4.345500D+00           4.174290D-01
                  1.068000D+00           7.714830D-01
            F    1   1.00
                  4.083000D-01           1.000000D+00
            ****
            -Cu     0
            S    20   1.00
                  5.430321D+06           7.801026D-06
                  8.131665D+05           6.065666D-05
                  1.850544D+05           3.188964D-04
                  5.241466D+04           1.344687D-03
                  1.709868D+04           4.869050D-03
                  6.171994D+03           1.561013D-02
                  2.406481D+03           4.452077D-02
                  9.972584D+02           1.103111D-01
                  4.339289D+02           2.220342D-01
                  1.962869D+02           3.133739D-01
                  9.104280D+01           2.315121D-01
                  4.138425D+01           7.640920D-02
                  1.993278D+01           1.103818D-01
                  9.581891D+00           1.094372D-01
                  4.234516D+00           1.836311D-02
                  1.985814D+00          -6.043084D-04
                  8.670830D-01           5.092245D-05
                  1.813390D-01          -5.540730D-05
                  8.365700D-02           3.969482D-05
                  3.626700D-02          -1.269538D-05
            S    20   1.00
                  5.430321D+06          -4.404706D-06
                  8.131665D+05          -3.424801D-05
                  1.850544D+05          -1.801238D-04
                  5.241466D+04          -7.600455D-04
                  1.709868D+04          -2.759348D-03
                  6.171994D+03          -8.900970D-03
                  2.406481D+03          -2.579378D-02
                  9.972584D+02          -6.623861D-02
                  4.339289D+02          -1.445927D-01
                  1.962869D+02          -2.440110D-01
                  9.104280D+01          -2.504837D-01
                  4.138425D+01           2.852577D-02
                  1.993278D+01           5.115874D-01
                  9.581891D+00           4.928061D-01
                  4.234516D+00           8.788437D-02
                  1.985814D+00          -5.820281D-03
                  8.670830D-01           2.013508D-04
                  1.813390D-01          -5.182553D-04
                  8.365700D-02           3.731503D-04
                  3.626700D-02          -1.193171D-04
            S    20   1.00
                  5.430321D+06           9.704682D-07
                  8.131665D+05           7.549245D-06
                  1.850544D+05           3.968892D-05
                  5.241466D+04           1.677200D-04
                  1.709868D+04           6.095101D-04
                  6.171994D+03           1.978846D-03
                  2.406481D+03           5.798049D-03
                  9.972584D+02           1.534158D-02
                  4.339289D+02           3.540484D-02
                  1.962869D+02           6.702098D-02
                  9.104280D+01           8.026945D-02
                  4.138425D+01          -1.927231D-02
                  1.993278D+01          -3.160129D-01
                  9.581891D+00          -4.573162D-01
                  4.234516D+00           1.550841D-01
                  1.985814D+00           7.202872D-01
                  8.670830D-01           3.885122D-01
                  1.813390D-01           1.924326D-02
                  8.365700D-02          -7.103807D-03
                  3.626700D-02           3.272906D-03
            S    20   1.00
                  5.430321D+06          -1.959354D-07
                  8.131665D+05          -1.523472D-06
                  1.850544D+05          -8.014808D-06
                  5.241466D+04          -3.383992D-05
                  1.709868D+04          -1.231191D-04
                  6.171994D+03          -3.992085D-04
                  2.406481D+03          -1.171900D-03
                  9.972584D+02          -3.096141D-03
                  4.339289D+02          -7.171993D-03
                  1.962869D+02          -1.356621D-02
                  9.104280D+01          -1.643989D-02
                  4.138425D+01           4.107628D-03
                  1.993278D+01           6.693964D-02
                  9.581891D+00           1.028221D-01
                  4.234516D+00          -4.422945D-02
                  1.985814D+00          -2.031191D-01
                  8.670830D-01          -2.230022D-01
                  1.813390D-01           2.517975D-01
                  8.365700D-02           5.650091D-01
                  3.626700D-02           3.247243D-01
            S    20   1.00
                  5.430321D+06          -3.532229D-07
                  8.131665D+05          -2.798812D-06
                  1.850544D+05          -1.432517D-05
                  5.241466D+04          -6.270946D-05
                  1.709868D+04          -2.179490D-04
                  6.171994D+03          -7.474316D-04
                  2.406481D+03          -2.049271D-03
                  9.972584D+02          -5.885203D-03
                  4.339289D+02          -1.226885D-02
                  1.962869D+02          -2.683147D-02
                  9.104280D+01          -2.479261D-02
                  4.138425D+01          -5.984746D-03
                  1.993278D+01           1.557124D-01
                  9.581891D+00           1.436683D-01
                  4.234516D+00           8.374103D-03
                  1.985814D+00          -7.460711D-01
                  8.670830D-01           1.244367D-01
                  1.813390D-01           1.510110D+00
                  8.365700D-02          -3.477122D-01
                  3.626700D-02          -9.774169D-01
            S    1   1.00
                  3.626700D-02           1.000000D+00
            S    1   1.00
                  1.572000D-02           1.000000D+00
            P    16   1.00
                  2.276057D+04           4.000000D-05
                  5.387679D+03           3.610000D-04
                  1.749945D+03           2.083000D-03
                  6.696653D+02           9.197000D-03
                  2.841948D+02           3.266000D-02
                  1.296077D+02           9.379500D-02
                  6.225415D+01           2.082740D-01
                  3.092964D+01           3.339930D-01
                  1.575827D+01           3.324930D-01
                  8.094211D+00           1.547280D-01
                  4.046921D+00           2.127100D-02
                  1.967869D+00          -1.690000D-03
                  9.252950D-01          -1.516000D-03
                  3.529920D-01          -2.420000D-04
                  1.273070D-01           2.300000D-05
                  4.435600D-02          -9.000000D-06
            P    16   1.00
                  2.276057D+04          -1.500000D-05
                  5.387679D+03          -1.310000D-04
                  1.749945D+03          -7.550000D-04
                  6.696653D+02          -3.359000D-03
                  2.841948D+02          -1.208100D-02
                  1.296077D+02          -3.570300D-02
                  6.225415D+01          -8.250200D-02
                  3.092964D+01          -1.398900D-01
                  1.575827D+01          -1.407290D-01
                  8.094211D+00           3.876600D-02
                  4.046921D+00           3.426950D-01
                  1.967869D+00           4.523100D-01
                  9.252950D-01           2.770540D-01
                  3.529920D-01           4.388500D-02
                  1.273070D-01          -2.802000D-03
                  4.435600D-02           1.152000D-03
            P    16   1.00
                  2.276057D+04           3.000000D-06
                  5.387679D+03           2.500000D-05
                  1.749945D+03           1.470000D-04
                  6.696653D+02           6.560000D-04
                  2.841948D+02           2.351000D-03
                  1.296077D+02           7.004000D-03
                  6.225415D+01           1.613100D-02
                  3.092964D+01           2.777000D-02
                  1.575827D+01           2.756700D-02
                  8.094211D+00          -1.011500D-02
                  4.046921D+00          -8.100900D-02
                  1.967869D+00          -1.104090D-01
                  9.252950D-01          -7.173200D-02
                  3.529920D-01           1.879300D-01
                  1.273070D-01           5.646290D-01
                  4.435600D-02           4.070000D-01
            P    16   1.00
                  2.276057D+04           5.000000D-06
                  5.387679D+03           4.900000D-05
                  1.749945D+03           2.780000D-04
                  6.696653D+02           1.253000D-03
                  2.841948D+02           4.447000D-03
                  1.296077D+02           1.337000D-02
                  6.225415D+01           3.046900D-02
                  3.092964D+01           5.344700D-02
                  1.575827D+01           5.263900D-02
                  8.094211D+00          -1.688100D-02
                  4.046921D+00          -1.794480D-01
                  1.967869D+00          -2.095880D-01
                  9.252950D-01          -3.963300D-02
                  3.529920D-01           5.021300D-01
                  1.273070D-01           5.811110D-01
                  4.435600D-02           4.566600D-02
            P    1   1.00
                  4.435600D-02           1.000000D+00
            P    1   1.00
                  1.545000D-02           1.000000D+00
            D    8   1.00
                  1.738970D+02           2.700000D-03
                  5.188690D+01           2.090900D-02
                  1.934190D+01           8.440800D-02
                  7.975720D+00           2.139990D-01
                  3.398230D+00           3.359800D-01
                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
                  1.901990D-01           1.039720D-01
            D    8   1.00
                  1.738970D+02          -3.363000D-03
                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
                  7.975720D+00          -2.822170D-01
                  3.398230D+00          -3.471900D-01
                  1.409320D+00           2.671100D-02
                  5.488580D-01           4.920470D-01
                  1.901990D-01           4.384220D-01
            D    1   1.00
                  1.901990D-01           1.000000D+00
            D    1   1.00
                  6.591000D-02           1.000000D+00
            F    2   1.00
                  5.028600D+00           4.242800D-01
                  1.259400D+00           7.630250D-01
            F    1   1.00
                  4.617200D-01           1.000000D+00
            ****
            -Zn     0
            S    20   1.00
                  5.820021D+06           8.549241D-06
                  8.715234D+05           6.647410D-05
                  1.983350D+05           3.494962D-04
                  5.617631D+04           1.473832D-03
                  1.832582D+04           5.338330D-03
                  6.614955D+03           1.712708D-02
                  2.579199D+03           4.894085D-02
                  1.068849D+03           1.217934D-01
                  4.651045D+02           2.476589D-01
                  2.104130D+02           3.582431D-01
                  9.761629D+01           2.798174D-01
                  4.438020D+01           6.857491D-02
                  2.142308D+01          -1.311092D-03
                  1.030891D+01           1.914001D-03
                  4.553645D+00          -8.759220D-04
                  2.132821D+00           3.740096D-04
                  9.296970D-01          -1.401399D-04
                  1.921470D-01           4.757132D-05
                  8.759500D-02          -3.642711D-05
                  3.770200D-02           1.153248D-05
            S    20   1.00
                  5.820021D+06          -2.640069D-06
                  8.715234D+05          -2.052720D-05
                  1.983350D+05          -1.079859D-04
                  5.617631D+04          -4.558577D-04
                  1.832582D+04          -1.657758D-03
                  6.614955D+03          -5.368492D-03
                  2.579199D+03          -1.571249D-02
                  1.068849D+03          -4.122558D-02
                  4.651045D+02          -9.406459D-02
                  2.104130D+02          -1.719954D-01
                  9.761629D+01          -1.958523D-01
                  4.438020D+01           4.532907D-02
                  2.142308D+01           5.244442D-01
                  1.030891D+01           5.006142D-01
                  4.553645D+00           8.945527D-02
                  2.132821D+00          -2.146262D-03
                  9.296970D-01           2.112113D-03
                  1.921470D-01          -4.133980D-04
                  8.759500D-02           3.209752D-04
                  3.770200D-02          -1.016140D-04
            S    20   1.00
                  5.820021D+06           9.967103D-07
                  8.715234D+05           7.754163D-06
                  1.983350D+05           4.076019D-05
                  5.617631D+04           1.722811D-04
                  1.832582D+04           6.259370D-04
                  6.614955D+03           2.032855D-03
                  2.579199D+03           5.954646D-03
                  1.068849D+03           1.576640D-02
                  4.651045D+02           3.637638D-02
                  2.104130D+02           6.892343D-02
                  9.761629D+01           8.238093D-02
                  4.438020D+01          -2.011360D-02
                  2.142308D+01          -3.252526D-01
                  1.030891D+01          -4.602899D-01
                  4.553645D+00           1.635546D-01
                  2.132821D+00           7.297118D-01
                  9.296970D-01           3.769751D-01
                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
                  3.770200D-02           1.766214D-03
            S    20   1.00
                  5.820021D+06           1.995818D-07
                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
                  5.617631D+04           3.450747D-05
                  1.832582D+04           1.253275D-04
                  6.614955D+03           4.072990D-04
                  2.579199D+03           1.192734D-03
                  1.068849D+03           3.163140D-03
                  4.651045D+02           7.303942D-03
                  2.104130D+02           1.391279D-02
                  9.761629D+01           1.670620D-02
                  4.438020D+01          -4.035586D-03
                  2.142308D+01          -6.968861D-02
                  1.030891D+01          -1.030105D-01
                  4.553645D+00           4.471442D-02
                  2.132821D+00           2.150027D-01
                  9.296970D-01           2.220163D-01
                  1.921470D-01          -3.114776D-01
                  8.759500D-02          -5.693429D-01
                  3.770200D-02          -2.678440D-01
            S    20   1.00
                  5.820021D+06          -5.435910D-07
                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
                  5.617631D+04          -9.747392D-05
                  1.832582D+04          -3.331615D-04
                  6.614955D+03          -1.166192D-03
                  2.579199D+03          -3.119308D-03
                  1.068849D+03          -9.239504D-03
                  4.651045D+02          -1.855471D-02
                  2.104130D+02          -4.281189D-02
                  9.761629D+01          -3.571095D-02
                  4.438020D+01          -1.638350D-02
                  2.142308D+01           2.644664D-01
                  1.030891D+01           2.086588D-01
                  4.553645D+00          -1.774382D-02
                  2.132821D+00          -1.353873D+00
                  9.296970D-01           8.182926D-01
                  1.921470D-01           1.695036D+00
                  8.759500D-02          -1.388656D+00
                  3.770200D-02          -2.188900D-01
            S    1   1.00
                  3.770200D-02           1.000000D+00
            S    1   1.00
                  1.623000D-02           1.000000D+00
            P    16   1.00
                  2.441198D+04          -1.500000D-05
                  5.778518D+03          -1.350000D-04
                  1.876862D+03          -7.820000D-04
                  7.182361D+02          -3.478000D-03
                  3.048327D+02          -1.252000D-02
                  1.390453D+02          -3.701600D-02
                  6.680417D+01          -8.555900D-02
                  3.320699D+01          -1.447180D-01
                  1.692816D+01          -1.434420D-01
                  8.696229D+00           4.359500D-02
                  4.350510D+00           3.488880D-01
                  2.116523D+00           4.538650D-01
                  9.953870D-01           2.685940D-01
                  3.781120D-01           3.886800D-02
                  1.345790D-01          -2.492000D-03
                  4.628200D-02           1.014000D-03
            P    16   1.00
                  2.441198D+04           3.000000D-06
                  5.778518D+03           2.500000D-05
                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
                  3.048327D+02           2.311000D-03
                  1.390453D+02           6.898000D-03
                  6.680417D+01           1.588200D-02
                  3.320699D+01           2.735000D-02
                  1.692816D+01           2.662100D-02
                  8.696229D+00          -1.085800D-02
                  4.350510D+00          -7.985300D-02
                  2.116523D+00          -1.061270D-01
                  9.953870D-01          -6.888300D-02
                  3.781120D-01           1.843850D-01
                  1.345790D-01           5.617880D-01
                  4.628200D-02           4.144160D-01
            P    16   1.00
                  2.441198D+04           5.000000D-06
                  5.778518D+03           4.200000D-05
                  1.876862D+03           2.380000D-04
                  7.182361D+02           1.088000D-03
                  3.048327D+02           3.821000D-03
                  1.390453D+02           1.164400D-02
                  6.680417D+01           2.616700D-02
                  3.320699D+01           4.675000D-02
                  1.692816D+01           4.330900D-02
                  8.696229D+00          -1.342900D-02
                  4.350510D+00          -1.538970D-01
                  2.116523D+00          -1.674130D-01
                  9.953870D-01          -8.499500D-02
                  3.781120D-01           4.508130D-01
                  1.345790D-01           6.408690D-01
                  4.628200D-02           5.417200D-02
            P    15   1.00
                  2.441198D+04           4.100000D-05
                  5.778518D+03           3.610000D-04
                  1.876862D+03           2.088000D-03
                  7.182361D+02           9.221000D-03
                  3.048327D+02           3.277300D-02
                  1.390453D+02           9.417900D-02
                  6.680417D+01           2.091320D-01
                  3.320699D+01           3.345690D-01
                  1.692816D+01           3.303590D-01
                  8.696229D+00           1.523470D-01
                  4.350510D+00           2.298400D-02
                  2.116523D+00           1.607000D-03
                  9.953870D-01           4.680000D-04
                  3.781120D-01           6.600000D-05
                  1.345790D-01          -2.000000D-06
            P    1   1.00
                  4.628200D-02           1.000000D+00
            P    1   1.00
                  1.592000D-02           1.000000D+00
            D    8   1.00
                  2.056177D+02           2.342000D-03
                  6.144981D+01           1.860600D-02
                  2.305689D+01           7.710200D-02
                  9.577739D+00           2.020260D-01
                  4.133734D+00           3.294540D-01
                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
            D    8   1.00
                  2.056177D+02           3.279000D-03
                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
                  1.747518D+00          -5.837500D-02
                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
            D    1   1.00
                  2.516080D-01           1.000000D+00
            D    1   1.00
                  9.049000D-02           1.000000D+00
            F    2   1.00
                  5.734400D+00           4.311320D-01
                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
            S    14   1.00
                  4.851300D+05           2.068000D-04
                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
                  1.529100D+03           1.111699D-01
                  5.518100D+02           2.753930D-01
                  2.151800D+02           4.212628D-01
                  8.817400D+01           2.738906D-01
                  2.715400D+01           2.837200D-02
                  1.150300D+01          -6.293100D-03
                  3.301800D+00           2.060600D-03
                  1.331400D+00          -9.269000D-04
                  1.931600D-01           2.273000D-04
                  7.089500D-02          -1.063000D-04
            S    14   1.00
                  4.851300D+05          -6.430000D-05
                  7.271900D+04          -4.954000D-04
                  1.655200D+04          -2.620800D-03
                  4.687800D+03          -1.068390D-02
                  1.529100D+03          -3.741230D-02
                  5.518100D+02          -1.009636D-01
                  2.151800D+02          -2.145141D-01
                  8.817400D+01          -1.752297D-01
                  2.715400D+01           4.831599D-01
                  1.150300D+01           6.323677D-01
                  3.301800D+00           6.849420D-02
                  1.331400D+00          -1.187120D-02
                  1.931600D-01           2.665200D-03
                  7.089500D-02          -1.225100D-03
            S    14   1.00
                  4.851300D+05           2.450000D-05
                  7.271900D+04           1.895000D-04
                  1.655200D+04           9.964000D-04
                  4.687800D+03           4.108200D-03
                  1.529100D+03           1.429380D-02
                  5.518100D+02           3.980340D-02
                  2.151800D+02           8.559400D-02
                  8.817400D+01           7.963050D-02
                  2.715400D+01          -2.939107D-01
                  1.150300D+01          -5.263914D-01
                  3.301800D+00           5.864249D-01
                  1.331400D+00           6.726347D-01
                  1.931600D-01           2.761230D-02
                  7.089500D-02          -9.365100D-03
            S    14   1.00
                  4.851300D+05          -5.700000D-06
                  7.271900D+04          -4.400000D-05
                  1.655200D+04          -2.305000D-04
                  4.687800D+03          -9.544000D-04
                  1.529100D+03          -3.305500D-03
                  5.518100D+02          -9.288800D-03
                  2.151800D+02          -1.986440D-02
                  8.817400D+01          -1.908880D-02
                  2.715400D+01           7.323560D-02
                  1.150300D+01           1.341526D-01
                  3.301800D+00          -1.831929D-01
                  1.331400D+00          -3.571308D-01
                  1.931600D-01           6.246013D-01
                  7.089500D-02           5.238430D-01
            S    1   1.00
                  7.089500D-02           1.000000D+00
            S    1   1.00
                  0.0243480              1.0000000
            P    11   1.00
                  3.248600D+03           1.526000D-03
                  7.699700D+02           1.274860D-02
                  2.482000D+02           6.337420D-02
                  9.336400D+01           2.065775D-01
                  3.825100D+01           4.092963D-01
                  1.642200D+01           3.919183D-01
                  6.791800D+00           1.029441D-01
                  2.833600D+00          -7.203000D-04
                  1.106200D+00           2.095000D-03
                  2.225000D-01          -3.290000D-04
                  6.177200D-02           1.162000D-04
            P    11   1.00
                  3.248600D+03          -5.803000D-04
                  7.699700D+02          -4.864700D-03
                  2.482000D+02          -2.483940D-02
                  9.336400D+01          -8.417590D-02
                  3.825100D+01          -1.800885D-01
                  1.642200D+01          -1.585555D-01
                  6.791800D+00           2.355376D-01
                  2.833600D+00           5.820587D-01
                  1.106200D+00           3.366619D-01
                  2.225000D-01           1.719120D-02
                  6.177200D-02          -3.326500D-03
            P    11   1.00
                  3.248600D+03           9.500000D-05
                  7.699700D+02           7.832000D-04
                  2.482000D+02           4.085500D-03
                  9.336400D+01           1.359870D-02
                  3.825100D+01           3.026950D-02
                  1.642200D+01           2.417900D-02
                  6.791800D+00          -4.237770D-02
                  2.833600D+00          -1.265661D-01
                  1.106200D+00          -4.994440D-02
                  2.225000D-01           4.494199D-01
                  6.177200D-02           6.718899D-01
            P    1   1.00
                  6.177200D-02           1.000000D+00
            P    1   1.00
                  0.0151640              1.0000000
            D    5   1.00
                  6.533700D+01           2.738250D-02
                  1.849700D+01           1.510805D-01
                  6.315000D+00           3.749217D-01
                  2.163500D+00           4.750799D-01
                  6.667500D-01           2.982750D-01
            D    1   1.00
                  1.884000D-01           1.000000D+00
            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
            S    14   1.00
                  5.218000D+05           2.045000D-04
                  7.821400D+04           1.586800D-03
                  1.780300D+04           8.248000D-03
                  5.041900D+03           3.366490D-02
                  1.644500D+03           1.101249D-01
                  5.934300D+02           2.735607D-01
                  2.313600D+02           4.210670D-01
                  9.476200D+01           2.766791D-01
                  2.927400D+01           2.921800D-02
                  1.245000D+01          -6.590300D-03
                  3.646300D+00           2.243000D-03
                  1.502500D+00          -1.038200D-03
                  2.450300D-01           2.695000D-04
                  9.159400D-02          -1.228000D-04
            S    14   1.00
                  5.218000D+05          -6.380000D-05
                  7.821400D+04          -4.916000D-04
                  1.780300D+04          -2.600200D-03
                  5.041900D+03          -1.060800D-02
                  1.644500D+03          -3.716020D-02
                  5.934300D+02          -1.005790D-01
                  2.313600D+02          -2.143977D-01
                  9.476200D+01          -1.782617D-01
                  2.927400D+01           4.777404D-01
                  1.245000D+01           6.355983D-01
                  3.646300D+00           7.221740D-02
                  1.502500D+00          -1.272650D-02
                  2.450300D-01           2.960800D-03
                  9.159400D-02          -1.329200D-03
            S    14   1.00
                  5.218000D+05           2.460000D-05
                  7.821400D+04           1.900000D-04
                  1.780300D+04           9.993000D-04
                  5.041900D+03           4.120000D-03
                  1.644500D+03           1.435570D-02
                  5.934300D+02           4.003750D-02
                  2.313600D+02           8.657940D-02
                  9.476200D+01           8.158610D-02
                  2.927400D+01          -2.934770D-01
                  1.245000D+01          -5.367983D-01
                  3.646300D+00           5.637985D-01
                  1.502500D+00           6.947182D-01
                  2.450300D-01           3.157300D-02
                  9.159400D-02          -9.894900D-03
            S    14   1.00
                  5.218000D+05          -6.300000D-06
                  7.821400D+04          -4.860000D-05
                  1.780300D+04          -2.553000D-04
                  5.041900D+03          -1.056000D-03
                  1.644500D+03          -3.667400D-03
                  5.934300D+02          -1.030530D-02
                  2.313600D+02          -2.222000D-02
                  9.476200D+01          -2.152750D-02
                  2.927400D+01           8.067520D-02
                  1.245000D+01           1.524958D-01
                  3.646300D+00          -1.980528D-01
                  1.502500D+00          -4.073954D-01
                  2.450300D-01           6.477288D-01
                  9.159400D-02           5.222033D-01
            S    1   1.00
                  9.159400D-02           1.000000D+00
            S    1   1.00
                  0.0339610              1.0000000
            P    11   1.00
                  3.568100D+03           1.459100D-03
                  8.457200D+02           1.221760D-02
                  2.727400D+02           6.104900D-02
                  1.026800D+02           2.008039D-01
                  4.214800D+01           4.038942D-01
                  1.814900D+01           3.970027D-01
                  7.593400D+00           1.105481D-01
                  3.196400D+00           7.680000D-05
                  1.274300D+00           2.126300D-03
                  2.825800D-01          -3.744000D-04
                  8.409000D-02           1.321000D-04
            P    11   1.00
                  3.568100D+03          -5.630000D-04
                  8.457200D+02          -4.735400D-03
                  2.727400D+02          -2.426430D-02
                  1.026800D+02          -8.309000D-02
                  4.214800D+01          -1.800247D-01
                  1.814900D+01          -1.663295D-01
                  7.593400D+00           2.193717D-01
                  3.196400D+00           5.820239D-01
                  1.274300D+00           3.477720D-01
                  2.825800D-01           1.924550D-02
                  8.409000D-02          -3.482500D-03
            P    11   1.00
                  3.568100D+03           1.115000D-04
                  8.457200D+02           9.212000D-04
                  2.727400D+02           4.827300D-03
                  1.026800D+02           1.622720D-02
                  4.214800D+01           3.663540D-02
                  1.814900D+01           3.078670D-02
                  7.593400D+00          -4.806430D-02
                  3.196400D+00          -1.559804D-01
                  1.274300D+00          -6.323700D-02
                  2.825800D-01           5.040819D-01
                  8.409000D-02           6.182200D-01
            P    1   1.00
                  8.409000D-02           1.000000D+00
            P    1   1.00
                  0.0239450              1.0000000
            D    5   1.00
                  7.476200D+01           2.576840D-02
                  2.130200D+01           1.454421D-01
                  7.343600D+00           3.713721D-01
                  2.565100D+00           4.800002D-01
                  8.197000D-01           2.896800D-01
            D    1   1.00
                  2.470000D-01           1.000000D+00
            D    1   1.00
                  0.0771000              1.0000000
            ****
            -As     0
            S    14   1.00
                  5.595838D+05           2.024000D-04
                  8.387933D+04           1.570900D-03
                  1.909267D+04           8.166200D-03
                  5.407392D+03           3.333990D-02
                  1.763756D+03           1.091726D-01
                  6.364567D+02           2.718853D-01
                  2.480884D+02           4.208509D-01
                  1.015785D+02           2.792257D-01
                  3.147551D+01           3.003010D-02
                  1.343728D+01          -6.880400D-03
                  4.008690D+00           2.424000D-03
                  1.684929D+00          -1.149100D-03
                  3.000190D-01           3.095000D-04
                  1.135870D-01          -1.377000D-04
            S    14   1.00
                  5.595838D+05          -6.340000D-05
                  8.387933D+04          -4.883000D-04
                  1.909267D+04          -2.582100D-03
                  5.407392D+03          -1.054020D-02
                  1.763756D+03          -3.693250D-02
                  6.364567D+02          -1.002355D-01
                  2.480884D+02          -2.142948D-01
                  1.015785D+02          -1.810526D-01
                  3.147551D+01           4.725410D-01
                  1.343728D+01           6.386194D-01
                  4.008690D+00           7.581070D-02
                  1.684929D+00          -1.352780D-02
                  3.000190D-01           3.197000D-03
                  1.135870D-01          -1.405600D-03
            S    14   1.00
                  5.595838D+05           2.460000D-05
                  8.387933D+04           1.907000D-04
                  1.909267D+04           1.003100D-03
                  5.407392D+03           4.135300D-03
                  1.763756D+03           1.442590D-02
                  6.364567D+02           4.029620D-02
                  2.480884D+02           8.756700D-02
                  1.015785D+02           8.351780D-02
                  3.147551D+01          -2.932935D-01
                  1.343728D+01          -5.470520D-01
                  4.008690D+00           5.438738D-01
                  1.684929D+00           7.143591D-01
                  3.000190D-01           3.534430D-02
                  1.135870D-01          -1.028920D-02
            S    14   1.00
                  5.595838D+05          -6.800000D-06
                  8.387933D+04          -5.250000D-05
                  1.909267D+04          -2.756000D-04
                  5.407392D+03          -1.138900D-03
                  1.763756D+03          -3.964600D-03
                  6.364567D+02          -1.114230D-02
                  2.480884D+02          -2.419910D-02
                  1.015785D+02          -2.363390D-02
                  3.147551D+01           8.663170D-02
                  1.343728D+01           1.685839D-01
                  4.008690D+00          -2.091425D-01
                  1.684929D+00          -4.500918D-01
                  3.000190D-01           6.603978D-01
                  1.135870D-01           5.284152D-01
            S    1   1.00
                  1.135870D-01           1.000000D+00
            S    1   1.00
                  0.0411520              1.0000000
            P    11   1.00
                  3.886356D+03           1.409700D-03
                  9.212020D+02           1.182770D-02
                  2.971932D+02           5.932800D-02
                  1.119751D+02           1.965115D-01
                  4.603462D+01           3.997891D-01
                  1.987419D+01           4.004653D-01
                  8.386088D+00           1.164196D-01
                  3.558728D+00           6.918000D-04
                  1.447282D+00           2.163300D-03
                  3.477790D-01          -4.150000D-04
                  1.076990D-01           1.452000D-04
            P    11   1.00
                  3.886356D+03          -5.519000D-04
                  9.212020D+02          -4.655000D-03
                  2.971932D+02          -2.391760D-02
                  1.119751D+02          -8.256270D-02
                  4.603462D+01          -1.806791D-01
                  1.987419D+01          -1.724848D-01
                  8.386088D+00           2.086700D-01
                  3.558728D+00           5.823622D-01
                  1.447282D+00           3.537465D-01
                  3.477790D-01           2.064390D-02
                  1.076990D-01          -3.638200D-03
            P    11   1.00
                  3.886356D+03           1.236000D-04
                  9.212020D+02           1.024000D-03
                  2.971932D+02           5.380500D-03
                  1.119751D+02           1.824430D-02
                  4.603462D+01           4.159790D-02
                  1.987419D+01           3.629980D-02
                  8.386088D+00          -5.235690D-02
                  3.558728D+00          -1.791667D-01
                  1.447282D+00          -7.404770D-02
                  3.477790D-01           5.358094D-01
                  1.076990D-01           5.888104D-01
            P    1   1.00
                  1.076990D-01           1.000000D+00
            P    1   1.00
                  0.0312680              1.0000000
            D    5   1.00
                  8.442423D+01           2.452880D-02
                  2.418159D+01           1.411340D-01
                  8.401777D+00           3.687579D-01
                  2.980502D+00           4.840626D-01
                  9.790030D-01           2.824434D-01
            D    1   1.00
                  3.098000D-01           1.000000D+00
            D    1   1.00
                  0.1078000              1.0000000
            ****
            -Se     0
            S    14   1.00
                  5.989900D+05           2.004000D-04
                  8.978300D+04           1.555400D-03
                  2.043500D+04           8.087200D-03
                  5.786900D+03           3.303440D-02
                  1.887300D+03           1.082924D-01
                  6.809700D+02           2.703361D-01
                  2.653900D+02           4.206236D-01
                  1.086300D+02           2.815922D-01
                  3.376000D+01           3.081100D-02
                  1.446500D+01          -7.161700D-03
                  4.389000D+00           2.602200D-03
                  1.878300D+00          -1.258300D-03
                  3.585900D-01           3.465000D-04
                  1.364900D-01          -1.503000D-04
            S    14   1.00
                  5.989900D+05          -6.290000D-05
                  8.978300D+04          -4.850000D-04
                  2.043500D+04          -2.564400D-03
                  5.786900D+03          -1.047610D-02
                  1.887300D+03          -3.672230D-02
                  6.809700D+02          -9.992250D-02
                  2.653900D+02          -2.141973D-01
                  1.086300D+02          -1.836593D-01
                  3.376000D+01           4.675454D-01
                  1.446500D+01           6.414740D-01
                  4.389000D+00           7.925690D-02
                  1.878300D+00          -1.426970D-02
                  3.585900D-01           3.379200D-03
                  1.364900D-01          -1.453700D-03
            S    14   1.00
                  5.989900D+05           2.470000D-05
                  8.978300D+04           1.913000D-04
                  2.043500D+04           1.006800D-03
                  5.786900D+03           4.151400D-03
                  1.887300D+03           1.449910D-02
                  6.809700D+02           4.056580D-02
                  2.653900D+02           8.853640D-02
                  1.086300D+02           8.542120D-02
                  3.376000D+01          -2.932581D-01
                  1.446500D+01          -5.570727D-01
                  4.389000D+00           5.261436D-01
                  1.878300D+00           7.320371D-01
                  3.585900D-01           3.882460D-02
                  1.364900D-01          -1.050360D-02
            S    14   1.00
                  5.989900D+05          -7.200000D-06
                  8.978300D+04          -5.590000D-05
                  2.043500D+04          -2.938000D-04
                  5.786900D+03          -1.213600D-03
                  1.887300D+03          -4.234000D-03
                  6.809700D+02          -1.190350D-02
                  2.653900D+02          -2.602060D-02
                  1.086300D+02          -2.561480D-02
                  3.376000D+01           9.194270D-02
                  1.446500D+01           1.838700D-01
                  4.389000D+00          -2.188461D-01
                  1.878300D+00          -4.896524D-01
                  3.585900D-01           6.775818D-01
                  1.364900D-01           5.296721D-01
            S    1   1.00
                  1.364900D-01           1.000000D+00
            S    1   1.00
                  0.0487470              1.0000000
            P    11   1.00
                  4.135600D+03           1.412700D-03
                  9.803400D+02           1.185880D-02
                  3.163500D+02           5.951530D-02
                  1.192500D+02           1.972201D-01
                  4.906800D+01           4.007439D-01
                  2.121200D+01           3.994740D-01
                  8.946200D+00           1.153364D-01
                  3.823600D+00           2.219000D-04
                  1.588300D+00           2.283800D-03
                  4.096900D-01          -4.756000D-04
                  1.245900D-01           1.516000D-04
            P    11   1.00
                  4.135600D+03          -5.610000D-04
                  9.803400D+02          -4.734000D-03
                  3.163500D+02          -2.435040D-02
                  1.192500D+02          -8.410710D-02
                  4.906800D+01          -1.841384D-01
                  2.121200D+01          -1.735004D-01
                  8.946200D+00           2.167263D-01
                  3.823600D+00           5.850099D-01
                  1.588300D+00           3.416816D-01
                  4.096900D-01           1.991250D-02
                  1.245900D-01          -2.613100D-03
            P    11   1.00
                  4.135600D+03           1.366000D-04
                  9.803400D+02           1.130800D-03
                  3.163500D+02           5.958100D-03
                  1.192500D+02           2.018660D-02
                  4.906800D+01           4.619390D-02
                  2.121200D+01           3.940500D-02
                  8.946200D+00          -5.928460D-02
                  3.823600D+00          -2.014663D-01
                  1.588300D+00          -6.878210D-02
                  4.096900D-01           5.595944D-01
                  1.245900D-01           5.709784D-01
            P    1   1.00
                  1.245900D-01           1.000000D+00
            P    1   1.00
                  0.0354920              1.0000000
            D    5   1.00
                  9.447200D+01           2.349820D-02
                  2.718000D+01           1.375183D-01
                  9.506800D+00           3.664824D-01
                  3.416800D+00           4.874717D-01
                  1.147900D+00           2.765769D-01
            D    1   1.00
                  3.682000D-01           1.000000D+00
            D    1   1.00
                  0.1283000              1.0000000
            ****
            -Br     0
            S    14   1.00
                  6.401000D+05           1.984000D-04
                  9.593800D+04           1.540000D-03
                  2.183300D+04           8.009600D-03
                  6.181900D+03           3.273410D-02
                  2.015700D+03           1.074480D-01
                  7.271000D+02           2.688946D-01
                  2.832800D+02           4.204411D-01
                  1.159100D+02           2.838041D-01
                  3.612400D+01           3.154550D-02
                  1.553200D+01          -7.426800D-03
                  4.785700D+00           2.772800D-03
                  2.081700D+00          -1.363500D-03
                  4.202800D-01           3.812000D-04
                  1.606900D-01          -1.615000D-04
            S    14   1.00
                  6.401000D+05          -6.250000D-05
                  9.593800D+04          -4.816000D-04
                  2.183300D+04          -2.546600D-03
                  6.181900D+03          -1.041120D-02
                  2.015700D+03          -3.651790D-02
                  7.271000D+02          -9.962950D-02
                  2.832800D+02          -2.141310D-01
                  1.159100D+02          -1.860911D-01
                  3.612400D+01           4.628261D-01
                  1.553200D+01           6.441141D-01
                  4.785700D+00           8.255020D-02
                  2.081700D+00          -1.496940D-02
                  4.202800D-01           3.528800D-03
                  1.606900D-01          -1.490900D-03
            S    14   1.00
                  6.401000D+05           2.480000D-05
                  9.593800D+04           1.919000D-04
                  2.183300D+04           1.010000D-03
                  6.181900D+03           4.165900D-03
                  2.015700D+03           1.456830D-02
                  7.271000D+02           4.083450D-02
                  2.832800D+02           8.948590D-02
                  1.159100D+02           8.727860D-02
                  3.612400D+01          -2.933644D-01
                  1.553200D+01          -5.667109D-01
                  4.785700D+00           5.105658D-01
                  2.081700D+00           7.477214D-01
                  4.202800D-01           4.215120D-02
                  1.606900D-01          -1.066120D-02
            S    14   1.00
                  6.401000D+05          -7.600000D-06
                  9.593800D+04          -5.880000D-05
                  2.183300D+04          -3.092000D-04
                  6.181900D+03          -1.276600D-03
                  2.015700D+03          -4.463400D-03
                  7.271000D+02          -1.255750D-02
                  2.832800D+02          -2.761450D-02
                  1.159100D+02          -2.739450D-02
                  3.612400D+01           9.640940D-02
                  1.553200D+01           1.976871D-01
                  4.785700D+00          -2.266693D-01
                  2.081700D+00          -5.241165D-01
                  4.202800D-01           6.889865D-01
                  1.606900D-01           5.344331D-01
            S    1   1.00
                  1.606900D-01           1.000000D+00
            S    1   1.00
                  0.0569460              1.0000000
            P    11   1.00
                  4.340800D+03           1.444800D-03
                  1.028900D+03           1.212880D-02
                  3.320200D+02           6.080770D-02
                  1.251600D+02           2.009358D-01
                  5.151100D+01           4.047419D-01
                  2.228100D+01           3.957151D-01
                  9.341700D+00           1.102213D-01
                  4.013200D+00          -9.090000D-04
                  1.700200D+00           2.483200D-03
                  4.719400D-01          -5.744000D-04
                  1.442100D-01           1.691000D-04
            P    11   1.00
                  4.340800D+03          -5.819000D-04
                  1.028900D+03          -4.906500D-03
                  3.320200D+02          -2.525140D-02
                  1.251600D+02          -8.694450D-02
                  5.151100D+01          -1.893422D-01
                  2.228100D+01          -1.710882D-01
                  9.341700D+00           2.368755D-01
                  4.013200D+00           5.898400D-01
                  1.700200D+00           3.171944D-01
                  4.719400D-01           1.798330D-02
                  1.442100D-01          -1.468300D-03
            P    11   1.00
                  4.340800D+03           1.518000D-04
                  1.028900D+03           1.256300D-03
                  3.320200D+02           6.622400D-03
                  1.251600D+02           2.238160D-02
                  5.151100D+01           5.097170D-02
                  2.228100D+01           4.140090D-02
                  9.341700D+00          -7.039700D-02
                  4.013200D+00          -2.232540D-01
                  1.700200D+00          -5.641790D-02
                  4.719400D-01           5.808079D-01
                  1.442100D-01           5.508132D-01
            P    1   1.00
                  1.442100D-01           1.000000D+00
            P    1   1.00
                  0.0410490              1.0000000
            D    5   1.00
                  1.048300D+02           2.265830D-02
                  3.027200D+01           1.345895D-01
                  1.064900D+01           3.647181D-01
                  3.869600D+00           4.904196D-01
                  1.323900D+00           2.713885D-01
            D    1   1.00
                  4.098000D-01           1.000000D+00
            D    1   1.00
                  0.1719000              1.0000000
            ****
            -Kr     0
            S    14   1.00
                  6.813588D+05           1.969000D-04
                  1.021265D+05           1.528600D-03
                  2.324371D+04           7.950000D-03
                  6.582007D+03           3.249380D-02
                  2.146429D+03           1.067240D-01
                  7.743378D+02           2.675701D-01
                  3.016702D+02           4.201851D-01
                  1.234118D+02           2.858015D-01
                  3.856755D+01           3.224610D-02
                  1.663738D+01          -7.682800D-03
                  5.198795D+00           2.939300D-03
                  2.294814D+00          -1.466200D-03
                  4.852110D-01           4.144000D-04
                  1.862700D-01          -1.720000D-04
            S    14   1.00
                  6.813588D+05          -6.220000D-05
                  1.021265D+05          -4.794000D-04
                  2.324371D+04          -2.534100D-03
                  6.582007D+03          -1.036360D-02
                  2.146429D+03          -3.635160D-02
                  7.743378D+02          -9.937370D-02
                  3.016702D+02          -2.140610D-01
                  1.234118D+02          -1.883192D-01
                  3.856755D+01           4.583816D-01
                  1.663738D+01           6.465664D-01
                  5.198795D+00           8.565790D-02
                  2.294814D+00          -1.561230D-02
                  4.852110D-01           3.649000D-03
                  1.862700D-01          -1.518900D-03
            S    14   1.00
                  6.813588D+05           2.490000D-05
                  1.021265D+05           1.928000D-04
                  2.324371D+04           1.014900D-03
                  6.582007D+03           4.185700D-03
                  2.146429D+03           1.464590D-02
                  7.743378D+02           4.110700D-02
                  3.016702D+02           9.039550D-02
                  1.234118D+02           8.906230D-02
                  3.856755D+01          -2.935718D-01
                  1.663738D+01          -5.759698D-01
                  5.198795D+00           4.968578D-01
                  2.294814D+00           7.616895D-01
                  4.852110D-01           4.532670D-02
                  1.862700D-01          -1.077220D-02
            S    14   1.00
                  6.813588D+05          -7.900000D-06
                  1.021265D+05          -6.140000D-05
                  2.324371D+04          -3.230000D-04
                  6.582007D+03          -1.333000D-03
                  2.146429D+03          -4.667200D-03
                  7.743378D+02          -1.313520D-02
                  3.016702D+02          -2.903420D-02
                  1.234118D+02          -2.901730D-02
                  3.856755D+01           1.002664D-01
                  1.663738D+01           2.103818D-01
                  5.198795D+00          -2.332471D-01
                  2.294814D+00          -5.546497D-01
                  4.852110D-01           6.969522D-01
                  1.862700D-01           5.408152D-01
            S    1   1.00
                  1.862700D-01           1.000000D+00
            S    1   1.00
                  0.0651450              1.0000000
            P    11   1.00
                  4.474270D+03           1.519500D-03
                  1.060579D+03           1.274240D-02
                  3.422081D+02           6.364650D-02
                  1.289984D+02           2.085635D-01
                  5.308722D+01           4.122423D-01
                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
                  4.083055D+00          -2.507800D-03
                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
                  1.643690D-01           2.107000D-04
            P    11   1.00
                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
                  9.507300D+00           2.738204D-01
                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
                  5.308722D+01           5.571550D-02
                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
                  5.291900D-01           6.012295D-01
                  1.643690D-01           5.254807D-01
            P    1   1.00
                  1.643690D-01           1.000000D+00
            P    1   1.00
                  0.0466060              1.0000000
            D    5   1.00
                  1.155253D+02           2.195570D-02
                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
                  1.507524D+00           2.667560D-01
            D    1   1.00
                  5.030000D-01           1.000000D+00
            D    1   1.00
                  0.2155000              1.0000000
            ****
            -Y     0
            S    7   1.00
                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
                  0.0690850              0.6581470
            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
                  0.0690850             -1.8636390
            S    1   1.00
                  0.0274150              1.0000000
            S    1   1.00
                  0.0109000              1.0000000
            P    6   1.00
                  9.0271500              0.0203960
                  4.0242700             -0.1536620
                  0.9906740              0.4320820
                  0.4727970              0.4983480
                  0.2197340              0.1957420
                  0.0800880              0.0140830
            P    6   1.00
                  9.0271500             -0.0056190
                  4.0242700              0.0465110
                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
                  0.0800880              0.6364970
            P    6   1.00
                  9.0271500              0.0111310
                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
                  0.0800880             -0.1131120
            P    1   1.00
                  0.0306400              1.0000000
            P    1   1.00
                  0.0117000              1.0000000
            D    5   1.00
                  4.3045000             -0.0043910
                  1.3201900              0.1196820
                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
                  4.3045000              0.0044330
                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
                  0.0879490              0.4218970
            D    1   1.00
                  0.0323050              1.0000000
            D    1   1.00
                  0.0119000              1.0000000
            F    1   1.00
                  0.2028000              1.0000000
            F    1   1.00
                  0.0484000              1.0000000
            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
                  0.0777920              0.6560480
            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
                  0.0777920             -1.6769590
            S    1   1.00
                  0.0302340              1.0000000
            S    1   1.00
                  0.0118000              1.0000000
            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
                  0.0847070              0.8518400
            P    1   1.00
                  0.0311380              1.0000000
            P    1   1.00
                  0.0114000              1.0000000
            D    5   1.00
                  4.3948700             -0.0082920
                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
                  4.3948700              0.0084760
                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
                  0.1158780              0.4914180
            D    1   1.00
                  0.0429250              1.0000000
            D    1   1.00
                  0.0159000              1.0000000
            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
                  0.0854690              0.6546160
            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
                  0.0326640              1.0000000
            S    1   1.00
                  0.0125000              1.0000000
            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
                  0.0929460              0.0087660
            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
                  0.0338800              1.0000000
            P    1   1.00
                  0.0123000              1.0000000
            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
                  0.1447240              0.4861590
            D    1   1.00
                  0.0543230              1.0000000
            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
                  0.0925180              0.6498330
            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
                  0.0362770              1.0000000
            P    1   1.00
                  0.0131000              1.0000000
            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
                  0.0623420              1.0000000
            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
                  0.1936070              0.5346560
            D    1   1.00
                  0.0714600              1.0000000
            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
                  0.0824110              1.0000000
            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
                  0.8583350             -0.1858420
                  0.3772750              0.0731610
                  0.1256960              0.5861720
            P    6   1.00
                 14.0509000             -0.0186030
                  7.1390600              0.1098650
                  1.8300700             -0.3664000
                  0.8583350             -0.3473160
                  0.3772750              0.4820340
                  0.1256960              0.7096400
            P    1   1.00
                  0.0426590              1.0000000
            P    1   1.00
                  0.0145000              1.0000000
            D    5   1.00
                 19.2539000              0.0066240
                 10.5848000             -0.0184110
                  2.4561900              0.2633960
                  1.0352900              0.4524480
                  0.4020080              0.3758330
            D    5   1.00
                 19.2539000             -0.0078390
                 10.5848000              0.0218380
                  2.4561900             -0.3691550
                  1.0352900             -0.4309590
                  0.4020080              0.3749650
            D    1   1.00
                  0.1370570              1.0000000
            D    1   1.00
                  0.0467000              1.0000000
            F    1   1.00
                  1.1484000              1.0000000
            F    1   1.00
                  0.3788000              1.0000000
            ****
            -Ag     0
            S    8   1.00
                180.0750000              0.0008490
                 21.8987000             -0.0654500
                 13.8670000              0.2977650
                  6.1426300             -0.7531210
                  1.4381400              0.8811750
                  0.6483820              0.4351760
                  0.1288820              0.0147380
                  0.0457380             -0.0013990
            S    8   1.00
                180.0750000             -0.0002030
                 21.8987000              0.0157230
                 13.8670000             -0.0792290
                  6.1426300              0.2226340
                  1.4381400             -0.3491960
                  0.6483820             -0.2559780
                  0.1288820              0.5486660
                  0.0457380              0.6181030
            S    8   1.00
                180.0750000             -0.0008620
                 21.8987000              0.0525460
                 13.8670000             -0.2081000
                  6.1426300              0.5249720
                  1.4381400             -1.2701730
                  0.6483820              0.5393730
                  0.1288820              1.6533910
                  0.0457380             -1.5839750
            S    1   1.00
                  0.0457380              1.0000000
            S    1   1.00
                  0.0162000              1.0000000
            P    7   1.00
                 11.8751000              0.1162480
                  8.0024500             -0.3072860
                  2.0176600              0.5157360
                  0.9542300              0.5031040
                  0.4231180              0.1420950
                  0.1358850              0.0051530
                  0.0454010              0.0001040
            P    7   1.00
                 11.8751000             -0.0282840
                  8.0024500              0.0783470
                  2.0176600             -0.1567410
                  0.9542300             -0.1886250
                  0.4231180              0.0635650
                  0.1358850              0.5817780
                  0.0454010              0.4999110
            P    7   1.00
                 11.8751000             -0.0528570
                  8.0024500              0.1470390
                  2.0176600             -0.3129730
                  0.9542300             -0.3708280
                  0.4231180              0.4236290
                  0.1358850              0.7536550
                  0.0454010              0.0708700
            P    1   1.00
                  0.0454010              1.0000000
            P    1   1.00
                  0.0152000              1.0000000
            D    6   1.00
                 26.4320000              0.0034790
                 11.0345000             -0.0138480
                  2.7378700              0.2545990
                  1.1957500              0.4498490
                  0.4820420              0.3757380
                  0.1729080              0.1458790
            D    6   1.00
                 26.4320000             -0.0047330
                 11.0345000              0.0190700
                  2.7378700             -0.4332980
                  1.1957500             -0.4445680
                  0.4820420              0.4914420
                  0.1729080              0.5728660
            D    1   1.00
                  0.1729080              1.0000000
            D    1   1.00
                  0.0620000              1.0000000
            F    1   1.00
                  1.3299000              1.0000000
            F    1   1.00
                  0.4449000              1.0000000
            ****
            -Cd     0
            S    8   1.00
                223.8530000              0.0008710
                 23.0948000             -0.0643070
                 14.6522000              0.3013160
                  6.5704440             -0.7605240
                  1.5378300              0.8940710
                  0.6909840              0.4278790
                  0.1349130              0.0101880
                  0.0474420             -0.0024450
            S    8   1.00
                223.8530000             -0.0002290
                 23.0948000              0.0155940
                 14.6522000             -0.0810470
                  6.5704440              0.2272510
                  1.5378300             -0.3625630
                  0.6909840             -0.2507830
                  0.1349130              0.6135330
                  0.0474420              0.5582600
            S    8   1.00
                223.8530000              0.0010770
                 23.0948000             -0.0716490
                 14.6522000              0.2889750
                  6.5704440             -0.7315460
                  1.5378300              1.9768990
                  0.6909840             -1.3519510
                  0.1349130             -1.1186740
                  0.0474420              1.3026160
            S    1   1.00
                  0.0474420              1.0000000
            S    1   1.00
                  0.0167000              1.0000000
            P    7   1.00
                 13.7175000              0.0776160
                  8.4632200             -0.2579430
                  2.1182000              0.5352740
                  0.9892620              0.4963620
                  0.4317810              0.1231090
                  0.1391600              0.0032100
                  0.0461490              0.0003400
            P    7   1.00
                 13.7175000             -0.0180110
                  8.4632200              0.0637170
                  2.1182000             -0.1587410
                  0.9892620             -0.1762800
                  0.4317810              0.0710060
                  0.1391600              0.5775860
                  0.0461490              0.4994910
            P    7   1.00
                 13.7175000             -0.0307300
                  8.4632200              0.1087440
                  2.1182000             -0.2782310
                  0.9892620             -0.3293900
                  0.4317810              0.3546300
                  0.1391600              0.7814580
                  0.0461490              0.0852520
            P    1   1.00
                  0.0461490              1.0000000
            P    1   1.00
                  0.0153000              1.0000000
            D    6   1.00
                 31.6697000              0.0031630
                 12.2214000             -0.0117910
                  3.1219900              0.2411940
                  1.3894100              0.4489980
                  0.5732030              0.3802110
                  0.2117080              0.1445530
            D    6   1.00
                 31.6697000             -0.0048710
                 12.2214000              0.0185820
                  3.1219900             -0.4766730
                  1.3894100             -0.4576040
                  0.5732030              0.5714620
                  0.2117080              0.4973800
            D    1   1.00
                  0.2117080              1.0000000
            D    1   1.00
                  0.0782000              1.0000000
            F    1   1.00
                  1.5393000              1.0000000
            F    1   1.00
                  0.5177000              1.0000000
            ****
            -In     0
            S    8   1.00
                265.1310000              0.0007700
                 25.5694000             -0.0527910
                 16.0041000              0.2593430
                  6.8188500             -0.7392890
                  1.6667600              0.8857730
                  0.7692320              0.4425920
                  0.1704150              0.0115740
                  0.0622300             -0.0024510
            S    8   1.00
                265.1310000             -0.0002300
                 25.5694000              0.0140880
                 16.0041000             -0.0786150
                  6.8188500              0.2528640
                  1.6667600             -0.4155450
                  0.7692320             -0.2966470
                  0.1704150              0.6785780
                  0.0622300              0.5271290
            S    1   1.00
                  0.1704150              1.0000000
            S    1   1.00
                  0.0622300              1.0000000
            S    1   1.00
                  0.0203000              1.0000000
            P    6   1.00
                 14.4691000              0.0901770
                  9.2808300             -0.2676420
                  2.0820100              0.6644830
                  0.8443140              0.4616900
                  0.1869000              0.0270590
                  0.0547770             -0.0046770
            P    6   1.00
                 14.4691000             -0.0190230
                  9.2808300              0.0591570
                  2.0820100             -0.1807490
                  0.8443140             -0.1145820
                  0.1869000              0.4407390
                  0.0547770              0.6877890
            P    1   1.00
                  0.0547770              1.0000000
            P    1   1.00
                  0.0141000              1.0000000
            D    6   1.00
                 30.7879000              0.0057660
                 19.2555000             -0.0107080
                  3.1966200              0.2938600
                  1.3321000              0.5108690
                  0.5046190              0.3415190
                  0.1498000              0.0524650
            D    1   1.00
                  0.1498000              1.0000000
            D    1   1.00
                  0.0472000              1.0000000
            ****
            -Sn     0
            S    8   1.00
                380.3660000              0.0011650
                 28.5822000             -0.0260060
                 17.8892000              0.1660430
                  6.9286200             -0.6589140
                  1.7839100              0.8693360
                  0.8431380              0.4521320
                  0.2052280              0.0129730
                  0.0766360             -0.0024030
            S    8   1.00
                380.3660000             -0.0004420
                 28.5822000              0.0057020
                 17.8892000             -0.0528940
                  6.9286200              0.2520870
                  1.7839100             -0.4703430
                  0.8431380             -0.3161440
                  0.2052280              0.7206250
                  0.0766360              0.5111140
            S    1   1.00
                  0.2052280              1.0000000
            S    1   1.00
                  0.0766360              1.0000000
            S    1   1.00
                  0.0275000              1.0000000
            P    6   1.00
                 18.5489000              0.0370210
                  9.5669600             -0.1938660
                  2.2186100              0.6575940
                  0.9214590              0.4555060
                  0.2178580              0.0272160
                  0.0693200             -0.0046040
            P    6   1.00
                 18.5489000             -0.0090520
                  9.5669600              0.0517620
                  2.2186100             -0.2217430
                  0.9214590             -0.1242790
                  0.2178580              0.5218530
                  0.0693200              0.6099370
            P    1   1.00
                  0.0693200              1.0000000
            P    1   1.00
                  0.0209000              1.0000000
            D    6   1.00
                 38.5626000              0.0042610
                 21.7613000             -0.0068970
                  3.6611100              0.2762770
                  1.5583300              0.5143230
                  0.6095230              0.3445590
                  0.1897000              0.0515940
            D    1   1.00
                  0.1897000              1.0000000
            D    1   1.00
                  0.0649000              1.0000000
            ****
            -Sb     0
            S    8   1.00
                371.5840000              0.0015910
                 26.5392000             -0.0416840
                 16.6213000              0.2733430
                  7.7355100             -0.7676850
                  1.8923400              0.8994960
                  0.9104310              0.4313870
                  0.2442310              0.0128370
                  0.0923970             -0.0021730
            S    8   1.00
                371.5840000              0.0006540
                 26.5392000             -0.0109620
                 16.6213000              0.0938330
                  7.7355100             -0.3040090
                  1.8923400              0.5084090
                  0.9104310              0.3392390
                  0.2442310             -0.7347720
                  0.0923970             -0.5261340
            S    1   1.00
                  0.2442310              1.0000000
            S    1   1.00
                  0.0923970              1.0000000
            S    1   1.00
                  0.0327000              1.0000000
            P    6   1.00
                 16.0509000              0.0921570
                 10.2621000             -0.2755590
                  2.4283200              0.6586400
                  1.0336000              0.4668920
                  0.2594400              0.0285110
                  0.0861080             -0.0051550
            P    6   1.00
                 16.0509000             -0.0253130
                 10.2621000              0.0797960
                  2.4283200             -0.2420940
                  1.0336000             -0.1486050
                  0.2594400              0.5489440
                  0.0861080              0.5892910
            P    1   1.00
                  0.0861080              1.0000000
            P    1   1.00
                  0.0271000              1.0000000
            D    6   1.00
                 45.4785000              0.0032590
                 18.5114000             -0.0054970
                  3.9160000              0.2799530
                  1.7148200              0.5127510
                  0.6973190              0.3328720
                  0.2304000              0.0488430
            D    1   1.00
                  0.2304000              1.0000000
            D    1   1.00
                  0.0802000              1.0000000
            ****
            -Te     0
            S    8   1.00
               2111.1900000              0.0006120
                311.6910000              0.0032070
                 13.8226000              0.4055120
                  8.7174800             -0.9325880
                  1.9830300              0.9196570
                  0.9703770              0.4046710
                  0.2797650              0.0123660
                  0.1067760             -0.0016040
            S    8   1.00
               2111.1900000              0.0002510
                311.6910000              0.0014570
                 13.8226000              0.1637020
                  8.7174800             -0.3984550
                  1.9830300              0.5780740
                  0.9703770              0.3271240
                  0.2797650             -0.7846540
                  0.1067760             -0.4994510
            S    1   1.00
                  0.2797650              1.0000000
            S    1   1.00
                  0.1067760              1.0000000
            S    1   1.00
                  0.0369000              1.0000000
            P    6   1.00
                 17.0629000              0.0893400
                 10.8306000             -0.2711680
                  2.5938000              0.6620230
                  1.1267600              0.4607440
                  0.3001760              0.0288090
                  0.0975510             -0.0038630
            P    6   1.00
                 17.0629000             -0.0268610
                 10.8306000              0.0863040
                  2.5938000             -0.2735020
                  1.1267600             -0.1513900
                  0.3001760              0.5839760
                  0.0975510              0.5650140
            P    1   1.00
                  0.0975510              1.0000000
            P    1   1.00
                  0.0299000              1.0000000
            D    6   1.00
                 50.9106000              0.0033540
                 18.4647000             -0.0036420
                  4.2761700              0.2780800
                  1.8977000              0.5163480
                  0.7864800              0.3265710
                  0.2638000              0.0451520
            D    1   1.00
                  0.2638000              1.0000000
            D    1   1.00
                  0.0988000              1.0000000
            ****
            -I     0
            S    8   1.00
                  2.449790D+03           4.190000D-04
                  3.598080D+02           2.240000D-03
                  1.440580D+01           3.972230D-01
                  9.076320D+00          -9.322490D-01
                  2.088100D+00           9.371380D-01
                  1.034980D+00           3.920860D-01
                  3.162840D-01           1.248500D-02
                  1.217190D-01          -1.329000D-03
            S    8   1.00
                  2.449790D+03           1.750000D-04
                  3.598080D+02           1.057000D-03
                  1.440580D+01           1.690000D-01
                  9.076320D+00          -4.217930D-01
                  2.088100D+00           6.388640D-01
                  1.034980D+00           3.201150D-01
                  3.162840D-01          -8.144280D-01
                  1.217190D-01          -4.897980D-01
            S    1   1.00
                  3.162840D-01           1.000000D+00
            S    1   1.00
                  1.217190D-01           1.000000D+00
            S    1   1.00
                  4.200000D-02           1.0000000
            P    6   1.00
                  1.953010D+01           5.893400D-02
                  1.108820D+01          -2.309300D-01
                  2.715630D+00           6.648010D-01
                  1.204300D+00           4.506730D-01
                  3.399450D-01           2.898000D-02
                  1.108810D-01          -2.889000D-03
            P    6   1.00
                  1.953010D+01          -1.883600D-02
                  1.108820D+01           8.000600D-02
                  2.715630D+00          -3.066520D-01
                  1.204300D+00          -1.475940D-01
                  3.399450D-01           6.075060D-01
                  1.108810D-01           5.470490D-01
            P    1   1.00
                  1.108810D-01           1.000000D+00
            P    1   1.00
                  3.380000D-02           1.0000000
            D    6   1.00
                  4.547650D+01           4.266000D-03
                  1.319280D+01          -1.362500D-02
                  4.227410D+00           3.097560D-01
                  1.942800D+00           5.097720D-01
                  8.397710D-01           2.974610D-01
                  3.000000D-01           4.016400D-02
            D    1   1.00
                  3.000000D-01           1.000000D+00
            D    1   1.00
                  1.191000D-01           1.0000000
            ****
            -Xe     0
            S    8   1.00
               2058.3200000              0.0009380
                307.4270000              0.0044200
                 15.7815000              0.3543950
                  9.5447000             -0.8885140
                  2.2296900              0.9496240
                  1.1120000              0.3810660
                  0.3554300              0.0125430
                  0.1377260             -0.0010730
            S    8   1.00
               2058.3200000             -0.0004380
                307.4270000             -0.0022770
                 15.7815000             -0.1557960
                  9.5447000              0.4175780
                  2.2296900             -0.6793250
                  1.1120000             -0.3183090
                  0.3554300              0.8356730
                  0.1377260              0.4854110
            S    1   1.00
                  0.3554300              1.0000000
            S    1   1.00
                  0.1377260              1.0000000
            S    1   1.00
                  0.0473000              1.0000000
            P    6   1.00
                 20.1725000              0.0687400
                 11.8122000             -0.2446140
                  2.9346000              0.6676480
                  1.3189000              0.4501800
                  0.3858160              0.0286890
                  0.1269610             -0.0034820
            P    6   1.00
                 20.1725000             -0.0229670
                 11.8122000              0.0881150
                  2.9346000             -0.3233110
                  1.3189000             -0.1542280
                  0.3858160              0.6228820
                  0.1269610              0.5375650
            P    1   1.00
                  0.1269610              1.0000000
            P    1   1.00
                  0.0379000              1.0000000
            D    6   1.00
                 52.6666000              0.0048070
                 14.3464000             -0.0045170
                  4.8159700              0.3015100
                  2.2149600              0.5120370
                  0.9611280              0.2990900
                  0.3412000              0.0395700
            D    1   1.00
                  0.3412000              1.0000000
            D    1   1.00
                  0.1404000              1.0000000
            ****
            -Hf     0
            S    7   1.00
                 29.2650000              0.0294330
                 18.3491000             -0.1987340
                 11.5257000              0.4359330
                  4.3859900             -0.7730970
                  0.8910800              0.8677580
                  0.4057400              0.4202920
                  0.0950670              0.0131930
            S    7   1.00
                 29.2650000             -0.0090770
                 18.3491000              0.0611920
                 11.5257000             -0.1354740
                  4.3859900              0.2530470
                  0.8910800             -0.3699320
                  0.4057400             -0.3314430
                  0.0950670              0.6577990
            S    7   1.00
                 29.2650000              0.0309420
                 18.3491000             -0.1631770
                 11.5257000              0.3100050
                  4.3859900             -0.5289420
                  0.8910800              1.2562440
                  0.4057400             -0.4970260
                  0.0950670             -1.8102840
            S    1   1.00
                  0.0358680              1.0000000
            S    1   1.00
                  0.0135000              1.0000000
            P    6   1.00
                  7.1199600              0.1786130
                  4.6018200             -0.5085500
                  2.9004600              0.1812060
                  0.9377910              0.6364370
                  0.3915000              0.4348840
                  0.1071520              0.0442170
            P    6   1.00
                  7.1199600             -0.0485910
                  4.6018200              0.1398590
                  2.9004600             -0.0462230
                  0.9377910             -0.2282940
                  0.3915000             -0.1575630
                  0.1071520              0.5288190
            P    6   1.00
                  7.1199600             -0.0658780
                  4.6018200              0.1871460
                  2.9004600             -0.0488380
                  0.9377910             -0.3615180
                  0.3915000             -0.1743340
                  0.1071520              0.9190410
            P    1   1.00
                  0.0367710              1.0000000
            P    1   1.00
                  0.0126000              1.0000000
            D    5   1.00
                  7.4982700              0.0144910
                  4.6961800             -0.0529680
                  1.0636000              0.2380440
                  0.4188210              0.4352750
                  0.1545660              0.4244200
            D    5   1.00
                  7.4982700             -0.0165460
                  4.6961800              0.0618730
                  1.0636000             -0.3167410
                  0.4188210             -0.5274120
                  0.1545660              0.3428660
            D    1   1.00
                  0.0526440              1.0000000
            D    1   1.00
                  0.0179000              1.0000000
            F    1   1.00
                  0.2700000              1.0000000
            F    1   1.00
                  0.0824000              1.0000000
            ****
            -Ta     0
            S    7   1.00
                 29.8670000              0.0287250
                 18.7203000             -0.1985810
                 11.7533000              0.4482880
                  4.5708900             -0.7983960
                  0.9478400              0.8861040
                  0.4340380              0.4136940
                  0.1050310              0.0121460
            S    7   1.00
                 29.8670000             -0.0091320
                 18.7203000              0.0630170
                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/28_pantolactone_Boat_STD/Gau-10314.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/28_pantolactone_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     10318.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=28_pantolactone_Boat_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 20:49:39 2021, MaxMem= 10737418240 cpu:               2.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "28_pantolactone_Boat_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 1.011671000000     -1.084086000000     -0.813691000000
  C                                                 1.419413000000     -0.188289000000      0.111620000000
  O                                                 2.553619000000     -0.095356000000      0.484544000000
  C                                                 0.235828000000      0.696000000000      0.519965000000
  C                                                -0.979961000000     -0.126503000000      0.081048000000
  C                                                -0.385884000000     -0.883675000000     -1.120205000000
  O                                                 0.318123000000      1.909739000000     -0.219607000000
  H                                                 0.252519000000      0.889728000000      1.595205000000
  C                                                -2.196472000000      0.704842000000     -0.305200000000
  C                                                -1.329021000000     -1.118373000000      1.197513000000
  H                                                -0.452245000000     -0.301310000000     -2.040275000000
  H                                                -0.831807000000     -1.864662000000     -1.274620000000
  H                                                 1.179565000000      2.308118000000     -0.044321000000
  H                                                -1.948274000000      1.441050000000     -1.067010000000
  H                                                -2.593106000000      1.235162000000      0.562058000000
  H                                                -2.987301000000      0.056387000000     -0.689334000000
  H                                                -0.472039000000     -1.735350000000      1.475951000000
  H                                                -2.129645000000     -1.785340000000      0.874079000000
  H                                                -1.668393000000     -0.590170000000      2.089853000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12          16          12          12          12          16           1          12          12
 AtmWgt=  15.9949146  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           1           0           0
 AtZEff=   5.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   0.0000000
 AtZNuc=   8.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 20:49:39 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        1.011671   -1.084086   -0.813691
      2          6           0        1.419413   -0.188289    0.111620
      3          8           0        2.553619   -0.095356    0.484544
      4          6           0        0.235828    0.696000    0.519965
      5          6           0       -0.979961   -0.126503    0.081048
      6          6           0       -0.385884   -0.883675   -1.120205
      7          8           0        0.318123    1.909739   -0.219607
      8          1           0        0.252519    0.889728    1.595205
      9          6           0       -2.196472    0.704842   -0.305200
     10          6           0       -1.329021   -1.118373    1.197513
     11          1           0       -0.452245   -0.301310   -2.040275
     12          1           0       -0.831807   -1.864662   -1.274620
     13          1           0        1.179565    2.308118   -0.044321
     14          1           0       -1.948274    1.441050   -1.067010
     15          1           0       -2.593106    1.235162    0.562058
     16          1           0       -2.987301    0.056387   -0.689334
     17          1           0       -0.472039   -1.735350    1.475951
     18          1           0       -2.129645   -1.785340    0.874079
     19          1           0       -1.668393   -0.590170    2.089853
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.350891   0.000000
     3  O    2.245129   1.197553   0.000000
     4  C    2.355690   1.532836   2.449419   0.000000
     5  C    2.384139   2.400364   3.556679   1.532091   0.000000
     6  C    1.444741   2.293480   3.440544   2.360520   1.539235
     7  O    3.130005   2.392545   3.084425   1.423693   2.433454
     8  H    3.205469   2.173657   2.738434   1.092680   2.201001
     9  C    3.708235   3.747806   4.881329   2.568474   1.523227
    10  C    3.086253   3.098082   4.077963   2.489934   1.533670
    11  H    2.064049   2.854213   3.930947   2.832473   2.192955
    12  H    2.054304   3.130476   4.205498   3.304144   2.209294
    13  H    3.482408   2.512746   2.818583   1.951405   3.256785
    14  H    3.898943   3.922401   5.003489   2.800695   2.170919
    15  H    4.501779   4.281287   5.316490   2.880162   2.165119
    16  H    4.160279   4.485590   5.665934   3.501438   2.157858
    17  H    2.804996   2.798640   3.581491   2.706741   2.189093
    18  H    3.634307   3.965820   4.994071   3.446434   2.168504
    19  H    3.982118   3.689100   4.543924   2.782955   2.173528
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.018255   0.000000
     8  H    3.305445   2.082851   0.000000
     9  C    2.542803   2.789676   3.105363   0.000000
    10  C    2.513246   3.727033   2.586870   2.516889   0.000000
    11  H    1.090909   2.965980   3.889984   2.658036   3.452477
    12  H    1.088589   4.084299   4.122902   3.066665   2.629755
    13  H    3.714256   0.965149   2.357815   3.746489   4.424477
    14  H    2.801471   2.464613   3.497833   1.088099   3.473066
    15  H    3.491605   3.088901   3.047015   1.091189   2.746059
    16  H    2.799417   3.818558   4.050927   1.092457   2.773111
    17  H    2.733642   4.097066   2.725847   3.478607   1.092065
    18  H    2.798369   4.565230   3.653863   2.756115   1.091079
    19  H    3.469214   3.940736   2.474809   2.773482   1.091074
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.781675   0.000000
    13  H    3.668208   4.792843   0.000000
    14  H    2.494227   3.495330   3.403098   0.000000
    15  H    3.703535   4.010545   3.968876   1.764103   0.000000
    16  H    2.894736   2.946039   4.780074   1.771866   1.763769
    17  H    3.797461   2.777012   4.624787   4.328445   3.762721
    18  H    3.675524   2.511490   5.343288   3.769657   3.071740
    19  H    4.315138   3.693763   4.589732   3.764302   2.553642
                   16         17         18         19
    16  H    0.000000
    17  H    3.771647   0.000000
    18  H    2.563551   1.764201   0.000000
    19  H    3.143475   1.766232   1.766152   0.000000
 Stoichiometry    C6H10O3
 Framework group  C1[X(C6H10O3)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        1.011671   -1.084086   -0.813691
      2          6           0        1.419413   -0.188289    0.111620
      3          8           0        2.553619   -0.095356    0.484544
      4          6           0        0.235828    0.696000    0.519965
      5          6           0       -0.979961   -0.126503    0.081048
      6          6           0       -0.385884   -0.883675   -1.120205
      7          8           0        0.318123    1.909739   -0.219607
      8          1           0        0.252519    0.889728    1.595205
      9          6           0       -2.196472    0.704842   -0.305200
     10          6           0       -1.329021   -1.118373    1.197513
     11          1           0       -0.452245   -0.301310   -2.040275
     12          1           0       -0.831807   -1.864662   -1.274620
     13          1           0        1.179565    2.308118   -0.044321
     14          1           0       -1.948274    1.441050   -1.067010
     15          1           0       -2.593106    1.235162    0.562058
     16          1           0       -2.987301    0.056387   -0.689334
     17          1           0       -0.472039   -1.735350    1.475951
     18          1           0       -2.129645   -1.785340    0.874079
     19          1           0       -1.668393   -0.590170    2.089853
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4824118           1.4960408           1.2565744
 Leave Link  202 at Thu Jul  8 20:49:39 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     11     12     13     14     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      4      5      6      9     10
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    35 alpha electrons       35 beta electrons
       nuclear repulsion energy       497.0319268020 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul  8 20:49:42 2021, MaxMem= 10737418240 cpu:              36.6 elap:               2.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  7.07D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Jul  8 20:49:43 2021, MaxMem= 10737418240 cpu:               7.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 20:49:43 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "28_pantolactone_Boat_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 20:49:44 2021, MaxMem= 10737418240 cpu:               7.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737211671 LenY= 10737112005
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -460.157285333530    
 DIIS: error= 3.13D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -460.157285333530     IErMin= 1 ErrMin= 3.13D-03
 ErrMax= 3.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-02 BMatP= 1.36D-02
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.13D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.451 Goal=   None    Shift=    0.000
 GapD=    0.451 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.20D-02 MaxDP=8.09D-01              OVMax= 1.70D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.20D-02    CP:  1.05D+00
 E= -460.169658017438     Delta-E=       -0.012372683908 Rises=F Damp=F
 DIIS: error= 1.43D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -460.169658017438     IErMin= 2 ErrMin= 1.43D-03
 ErrMax= 1.43D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.83D-04 BMatP= 1.36D-02
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.43D-02
 Coeff-Com:  0.392D-01 0.961D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.386D-01 0.961D+00
 Gap=     0.374 Goal=   None    Shift=    0.000
 RMSDP=1.83D-03 MaxDP=9.66D-02 DE=-1.24D-02 OVMax= 8.23D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.54D-04    CP:  1.06D+00  1.13D+00
 E= -460.169975723073     Delta-E=       -0.000317705635 Rises=F Damp=F
 DIIS: error= 1.23D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -460.169975723073     IErMin= 3 ErrMin= 1.23D-03
 ErrMax= 1.23D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.14D-04 BMatP= 8.83D-04
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.23D-02
 Coeff-Com: -0.495D-01 0.502D+00 0.547D+00
 Coeff-En:   0.000D+00 0.334D+00 0.666D+00
 Coeff:     -0.489D-01 0.500D+00 0.549D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=3.42D-04 MaxDP=1.59D-02 DE=-3.18D-04 OVMax= 3.40D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.95D-04    CP:  1.06D+00  1.15D+00  1.13D+00
 E= -460.170515232644     Delta-E=       -0.000539509570 Rises=F Damp=F
 DIIS: error= 1.28D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -460.170515232644     IErMin= 4 ErrMin= 1.28D-04
 ErrMax= 1.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.85D-06 BMatP= 8.14D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.28D-03
 Coeff-Com: -0.897D-02 0.168D-01 0.832D-01 0.909D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.896D-02 0.168D-01 0.831D-01 0.909D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=1.37D-04 MaxDP=8.80D-03 DE=-5.40D-04 OVMax= 9.92D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.38D-05    CP:  1.06D+00  1.15D+00  1.21D+00  1.22D+00
 E= -460.170526659491     Delta-E=       -0.000011426847 Rises=F Damp=F
 DIIS: error= 7.40D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -460.170526659491     IErMin= 5 ErrMin= 7.40D-05
 ErrMax= 7.40D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.17D-06 BMatP= 9.85D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.174D-02-0.473D-01-0.295D-01 0.392D+00 0.683D+00
 Coeff:      0.174D-02-0.473D-01-0.295D-01 0.392D+00 0.683D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=3.95D-05 MaxDP=2.51D-03 DE=-1.14D-05 OVMax= 5.20D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.13D-05    CP:  1.06D+00  1.15D+00  1.23D+00  1.30D+00  1.22D+00
 E= -460.170529508649     Delta-E=       -0.000002849158 Rises=F Damp=F
 DIIS: error= 2.02D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -460.170529508649     IErMin= 6 ErrMin= 2.02D-05
 ErrMax= 2.02D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.97D-07 BMatP= 3.17D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.194D-02-0.239D-01-0.261D-01 0.715D-01 0.328D+00 0.649D+00
 Coeff:      0.194D-02-0.239D-01-0.261D-01 0.715D-01 0.328D+00 0.649D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.14D-05 MaxDP=1.03D-03 DE=-2.85D-06 OVMax= 1.88D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.86D-06    CP:  1.06D+00  1.15D+00  1.24D+00  1.32D+00  1.29D+00
                    CP:  1.18D+00
 E= -460.170529940427     Delta-E=       -0.000000431779 Rises=F Damp=F
 DIIS: error= 7.59D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -460.170529940427     IErMin= 7 ErrMin= 7.59D-06
 ErrMax= 7.59D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.41D-08 BMatP= 4.97D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.353D-03 0.212D-04-0.411D-02-0.409D-01 0.312D-02 0.194D+00
 Coeff-Com:  0.848D+00
 Coeff:      0.353D-03 0.212D-04-0.411D-02-0.409D-01 0.312D-02 0.194D+00
 Coeff:      0.848D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=6.63D-06 MaxDP=6.49D-04 DE=-4.32D-07 OVMax= 9.08D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.25D-06    CP:  1.06D+00  1.15D+00  1.23D+00  1.33D+00  1.33D+00
                    CP:  1.23D+00  1.29D+00
 E= -460.170529995722     Delta-E=       -0.000000055294 Rises=F Damp=F
 DIIS: error= 1.49D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -460.170529995722     IErMin= 8 ErrMin= 1.49D-06
 ErrMax= 1.49D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-09 BMatP= 3.41D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.121D-03 0.222D-02 0.190D-02-0.144D-01-0.292D-01-0.404D-01
 Coeff-Com:  0.138D+00 0.942D+00
 Coeff:     -0.121D-03 0.222D-02 0.190D-02-0.144D-01-0.292D-01-0.404D-01
 Coeff:      0.138D+00 0.942D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=2.15D-06 MaxDP=1.09D-04 DE=-5.53D-08 OVMax= 4.65D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.98D-07    CP:  1.06D+00  1.15D+00  1.23D+00  1.33D+00  1.33D+00
                    CP:  1.25D+00  1.39D+00  1.31D+00
 E= -460.170530001702     Delta-E=       -0.000000005981 Rises=F Damp=F
 DIIS: error= 6.18D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -460.170530001702     IErMin= 9 ErrMin= 6.18D-07
 ErrMax= 6.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.94D-10 BMatP= 2.79D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.758D-04 0.810D-03 0.113D-02-0.140D-02-0.103D-01-0.360D-01
 Coeff-Com: -0.327D-01 0.354D+00 0.725D+00
 Coeff:     -0.758D-04 0.810D-03 0.113D-02-0.140D-02-0.103D-01-0.360D-01
 Coeff:     -0.327D-01 0.354D+00 0.725D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=4.83D-07 MaxDP=1.57D-05 DE=-5.98D-09 OVMax= 1.60D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.68D-07    CP:  1.06D+00  1.15D+00  1.23D+00  1.33D+00  1.33D+00
                    CP:  1.25D+00  1.41D+00  1.40D+00  1.12D+00
 E= -460.170530002578     Delta-E=       -0.000000000876 Rises=F Damp=F
 DIIS: error= 2.33D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -460.170530002578     IErMin=10 ErrMin= 2.33D-07
 ErrMax= 2.33D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.00D-11 BMatP= 5.94D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.698D-05-0.854D-04 0.860D-04 0.188D-02 0.178D-02-0.614D-02
 Coeff-Com: -0.314D-01-0.392D-01 0.214D+00 0.860D+00
 Coeff:     -0.698D-05-0.854D-04 0.860D-04 0.188D-02 0.178D-02-0.614D-02
 Coeff:     -0.314D-01-0.392D-01 0.214D+00 0.860D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=2.12D-07 MaxDP=8.64D-06 DE=-8.76D-10 OVMax= 1.04D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.17D-07    CP:  1.06D+00  1.15D+00  1.23D+00  1.33D+00  1.33D+00
                    CP:  1.25D+00  1.41D+00  1.43D+00  1.18D+00  1.31D+00
 E= -460.170530002781     Delta-E=       -0.000000000203 Rises=F Damp=F
 DIIS: error= 1.02D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -460.170530002781     IErMin=11 ErrMin= 1.02D-07
 ErrMax= 1.02D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-11 BMatP= 8.00D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.123D-04-0.169D-03-0.192D-03 0.674D-03 0.241D-02 0.465D-02
 Coeff-Com: -0.116D-02-0.731D-01-0.832D-01 0.202D+00 0.948D+00
 Coeff:      0.123D-04-0.169D-03-0.192D-03 0.674D-03 0.241D-02 0.465D-02
 Coeff:     -0.116D-02-0.731D-01-0.832D-01 0.202D+00 0.948D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=9.62D-08 MaxDP=5.46D-06 DE=-2.03D-10 OVMax= 5.92D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.13D-08    CP:  1.06D+00  1.15D+00  1.23D+00  1.33D+00  1.33D+00
                    CP:  1.25D+00  1.41D+00  1.43D+00  1.22D+00  1.41D+00
                    CP:  1.35D+00
 E= -460.170530002802     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 4.20D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -460.170530002802     IErMin=12 ErrMin= 4.20D-08
 ErrMax= 4.20D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-12 BMatP= 1.29D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.209D-05 0.843D-06-0.344D-04-0.247D-03-0.676D-04 0.146D-02
 Coeff-Com:  0.515D-02 0.252D-03-0.436D-01-0.122D+00 0.867D-01 0.107D+01
 Coeff:      0.209D-05 0.843D-06-0.344D-04-0.247D-03-0.676D-04 0.146D-02
 Coeff:      0.515D-02 0.252D-03-0.436D-01-0.122D+00 0.867D-01 0.107D+01
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=3.97D-08 MaxDP=2.62D-06 DE=-2.11D-11 OVMax= 2.78D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.36D-08    CP:  1.06D+00  1.15D+00  1.23D+00  1.33D+00  1.33D+00
                    CP:  1.25D+00  1.40D+00  1.43D+00  1.22D+00  1.45D+00
                    CP:  1.49D+00  1.24D+00
 E= -460.170530002830     Delta-E=       -0.000000000028 Rises=F Damp=F
 DIIS: error= 1.35D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -460.170530002830     IErMin=13 ErrMin= 1.35D-08
 ErrMax= 1.35D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-13 BMatP= 1.57D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.154D-05 0.236D-04 0.232D-04-0.114D-03-0.357D-03-0.484D-03
 Coeff-Com:  0.629D-03 0.102D-01 0.735D-02-0.380D-01-0.126D+00 0.903D-01
 Coeff-Com:  0.106D+01
 Coeff:     -0.154D-05 0.236D-04 0.232D-04-0.114D-03-0.357D-03-0.484D-03
 Coeff:      0.629D-03 0.102D-01 0.735D-02-0.380D-01-0.126D+00 0.903D-01
 Coeff:      0.106D+01
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.43D-08 MaxDP=5.57D-07 DE=-2.81D-11 OVMax= 8.99D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  7.72D-09    CP:  1.06D+00  1.15D+00  1.23D+00  1.33D+00  1.33D+00
                    CP:  1.25D+00  1.40D+00  1.42D+00  1.22D+00  1.44D+00
                    CP:  1.51D+00  1.35D+00  1.33D+00
 E= -460.170530002820     Delta-E=        0.000000000010 Rises=F Damp=F
 DIIS: error= 3.56D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -460.170530002830     IErMin=14 ErrMin= 3.56D-09
 ErrMax= 3.56D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-14 BMatP= 1.66D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.279D-06 0.176D-05 0.517D-05 0.123D-04-0.365D-04-0.155D-03
 Coeff-Com: -0.402D-03 0.995D-03 0.431D-02 0.647D-02-0.209D-01-0.808D-01
 Coeff-Com:  0.126D+00 0.965D+00
 Coeff:     -0.279D-06 0.176D-05 0.517D-05 0.123D-04-0.365D-04-0.155D-03
 Coeff:     -0.402D-03 0.995D-03 0.431D-02 0.647D-02-0.209D-01-0.808D-01
 Coeff:      0.126D+00 0.965D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=4.25D-09 MaxDP=1.80D-07 DE= 1.05D-11 OVMax= 1.56D-07

 SCF Done:  E(RM11) =  -460.170530003     A.U. after   14 cycles
            NFock= 14  Conv=0.43D-08     -V/T= 2.0068
 KE= 4.570535955107D+02 PE=-2.068965905341D+03 EE= 6.547098530257D+02
 Leave Link  502 at Thu Jul  8 20:52:36 2021, MaxMem= 10737418240 cpu:            2742.6 elap:             171.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    35 NBE=    35 NFC=     0 NFV=     0
 NROrb=    297 NOA=    35 NOB=    35 NVA=   262 NVB=   262

 **** Warning!!: The largest alpha MO coefficient is  0.75209307D+02

 Leave Link  801 at Thu Jul  8 20:52:37 2021, MaxMem= 10737418240 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5887 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.53D-13 8.33D-09 XBig12= 1.00D+00 1.84D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.53D-13 8.33D-09 XBig12= 1.44D-01 4.02D-02.
     11 vectors produced by pass  2 Test12= 1.53D-13 8.33D-09 XBig12= 2.04D-02 2.90D-02.
     11 vectors produced by pass  3 Test12= 1.53D-13 8.33D-09 XBig12= 1.79D-03 9.08D-03.
     11 vectors produced by pass  4 Test12= 1.53D-13 8.33D-09 XBig12= 9.55D-05 1.86D-03.
     11 vectors produced by pass  5 Test12= 1.53D-13 8.33D-09 XBig12= 4.10D-06 2.47D-04.
     11 vectors produced by pass  6 Test12= 1.53D-13 8.33D-09 XBig12= 1.21D-07 5.40D-05.
     11 vectors produced by pass  7 Test12= 1.53D-13 8.33D-09 XBig12= 3.51D-09 7.96D-06.
     11 vectors produced by pass  8 Test12= 1.53D-13 8.33D-09 XBig12= 7.97D-11 9.46D-07.
     10 vectors produced by pass  9 Test12= 1.53D-13 8.33D-09 XBig12= 1.78D-12 1.59D-07.
      6 vectors produced by pass 10 Test12= 1.53D-13 8.33D-09 XBig12= 3.34D-14 2.27D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.64D-14
 Solved reduced A of dimension   115 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.927351D+02
      2  0.209586D+01  0.786102D+02
      3  0.415115D+01  0.120703D+01  0.762311D+02
 Isotropic polarizability for W=    0.085645       82.53 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.359251D+02  0.459550D+01  0.150739D+02
      2   0.207824D+02 -0.112178D+01 -0.253909D+02
      3   0.151428D+02 -0.347371D+01  0.103170D+02
      4  -0.964262D+01 -0.631302D+02  0.657952D+01
      5   0.278798D+02  0.832808D+01 -0.683698D+02
      6  -0.375683D+01  0.857732D-01 -0.141275D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.342815D+01  0.978238D+01  0.449308D+01
      2   0.362859D+01  0.684398D+01 -0.280253D+02
      3  -0.104583D+02  0.301843D+02 -0.815069D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.174856D+01  0.254767D+02  0.106538D+02
      2  -0.128059D+02  0.103363D+02 -0.835126D+02
      3  -0.142381D+02  0.839126D+02 -0.120849D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.216212D+00 -0.176890D+01  0.104326D+01
      2  -0.176890D+01  0.222814D+00 -0.489753D+00
      3   0.104326D+01 -0.489753D+00  0.211484D+01
 OR G Eigenvalues:    -1.8366     0.9120     3.0461  Iso=    -0.7071
 Eigenvectors:
   (1)   0.767130   0.629286  -0.124540
   (2)  -0.426872   0.645682   0.633147
   (3)   0.478844  -0.432543   0.763947
 w=    0.085645 a.u., Optical Rotation Beta=     -0.7071 au.
 Molar Mass =    130.1432 grams/mole, [Alpha] ( 5320.0 A) =     -257.70 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 7.12D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.89D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.55D-14 2.78D-09 XBig12= 1.00D+00 3.61D-01.
     30 vectors produced by pass  1 Test12= 2.55D-14 2.78D-09 XBig12= 1.81D-02 2.71D-02.
     30 vectors produced by pass  2 Test12= 2.55D-14 2.78D-09 XBig12= 2.05D-03 5.71D-03.
     30 vectors produced by pass  3 Test12= 2.55D-14 2.78D-09 XBig12= 2.83D-05 8.99D-04.
     30 vectors produced by pass  4 Test12= 2.55D-14 2.78D-09 XBig12= 4.95D-07 6.95D-05.
     30 vectors produced by pass  5 Test12= 2.55D-14 2.78D-09 XBig12= 6.72D-09 7.28D-06.
     30 vectors produced by pass  6 Test12= 2.55D-14 2.78D-09 XBig12= 6.91D-11 7.73D-07.
     30 vectors produced by pass  7 Test12= 2.55D-14 2.78D-09 XBig12= 6.19D-13 6.55D-08.
      7 vectors produced by pass  8 Test12= 2.55D-14 2.78D-09 XBig12= 5.11D-15 5.89D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   247 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 4.06D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 4.06D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.15D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.927351D+02  0.209586D+01  0.415115D+01
      2   0.209586D+01  0.786102D+02  0.120703D+01
      3   0.415115D+01  0.120703D+01  0.762311D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.342815D+01  0.978238D+01  0.449308D+01
      2   0.362859D+01  0.684398D+01 -0.280253D+02
      3  -0.104583D+02  0.301843D+02 -0.815069D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.359251D+02  0.459550D+01  0.150739D+02
      2   0.207824D+02 -0.112178D+01 -0.253909D+02
      3   0.151428D+02 -0.347371D+01  0.103170D+02
      4  -0.964262D+01 -0.631302D+02  0.657952D+01
      5   0.278798D+02  0.832808D+01 -0.683698D+02
      6  -0.375683D+01  0.857732D-01 -0.141275D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.357336D+01 -0.194546D+01 -0.111325D+01 -0.148080D+01  0.574728D+00
      2  -0.194546D+01  0.876209D-01  0.474952D+00  0.574728D+00 -0.376903D+01
      3  -0.111325D+01  0.474952D+00 -0.679853D+00  0.117461D+00 -0.117454D+01
                 6             7             8             9            10 
      1   0.117461D+00 -0.750795D+00 -0.243355D+00  0.251869D+00 -0.646634D+01
      2  -0.117454D+01 -0.243355D+00 -0.171582D+01 -0.139642D+01 -0.188724D+01
      3  -0.750203D+00  0.251869D+00 -0.139642D+01 -0.291120D+01 -0.343328D+01
                11            12            13            14            15 
      1  -0.188724D+01 -0.343328D+01 -0.122254D+01  0.677065D+00  0.824162D+00
      2  -0.445139D+00  0.702343D+00  0.677065D+00 -0.164471D+00  0.124286D+00
      3   0.702343D+00 -0.100813D+00  0.824162D+00  0.124286D+00  0.458552D+00
                16            17            18            19            20 
      1  -0.187586D+01  0.612833D+00  0.113783D+00  0.168382D+02  0.824916D+00
      2   0.612833D+00  0.504014D+00  0.690453D+00  0.824916D+00  0.267066D+01
      3   0.113783D+00  0.690453D+00  0.139926D+01  0.398145D+01  0.168366D+00
                21            22            23            24            25 
      1   0.398145D+01  0.397922D-01  0.327646D+01 -0.292707D+00  0.264238D+01
      2   0.168366D+00  0.327646D+01  0.900174D+00  0.992061D+00  0.203569D-01
      3   0.267652D+01 -0.292707D+00  0.992061D+00  0.693385D-01  0.408778D+01
                26            27            28            29            30 
      1   0.203569D-01  0.408778D+01  0.117674D+01  0.346339D+01  0.141667D+01
      2   0.713570D+00  0.639001D-01  0.346339D+01 -0.222258D+00 -0.184060D+00
      3   0.639001D-01  0.276825D+01  0.141667D+01 -0.184060D+00  0.308447D+00
                31            32            33            34            35 
      1   0.275172D+01 -0.546528D+00  0.172804D+00  0.126354D+01 -0.963135D-01
      2  -0.546528D+00 -0.169903D+01  0.148220D+01 -0.963135D-01  0.225072D+01
      3   0.172804D+00  0.148220D+01 -0.482917D+00 -0.201099D-01 -0.212785D+01
                36            37            38            39            40 
      1  -0.201099D-01 -0.167910D+01 -0.347279D+01  0.988152D+00 -0.318330D+01
      2  -0.212785D+01 -0.347279D+01 -0.593363D+00 -0.276211D+01 -0.349943D+00
      3  -0.643489D+01  0.988152D+00 -0.276211D+01 -0.132598D+01 -0.264988D+01
                41            42            43            44            45 
      1  -0.349943D+00 -0.264988D+01  0.993839D+00 -0.292742D+01 -0.111619D+01
      2   0.224441D+00 -0.984047D+00 -0.292742D+01 -0.178357D+01  0.394695D+01
      3  -0.984047D+00  0.475242D+01 -0.111619D+01  0.394695D+01  0.808253D+00
                46            47            48            49            50 
      1  -0.132645D+01  0.127809D+01 -0.904108D+00  0.582075D+00  0.245375D+01
      2   0.127809D+01  0.284088D+01  0.904104D+00  0.245375D+01  0.294596D+01
      3  -0.904108D+00  0.904104D+00  0.299221D+01  0.111996D+01  0.181069D+01
                51            52            53            54            55 
      1   0.111996D+01 -0.113331D+01  0.121339D+01  0.177753D+01 -0.400023D+01
      2   0.181069D+01  0.121339D+01  0.866342D+00 -0.313491D+01 -0.176398D+01
      3  -0.458284D+01  0.177753D+01 -0.313491D+01  0.263635D+01 -0.108765D+01
                56            57            58            59            60 
      1  -0.176398D+01 -0.108765D+01 -0.772169D+00 -0.890758D+00 -0.207253D+00
      2  -0.291303D+01 -0.935353D-01 -0.890758D+00  0.461625D+01 -0.159915D+01
      3  -0.935353D-01 -0.791061D+00 -0.207253D+00 -0.159915D+01 -0.237290D+00
                61            62            63            64            65 
      1  -0.172823D+01 -0.509269D+00 -0.198117D-01 -0.177737D+00 -0.764144D-01
      2  -0.509269D+00 -0.309390D+01  0.189693D+01 -0.764144D-01 -0.157553D-01
      3  -0.198117D-01  0.189693D+01 -0.821340D+00  0.120087D+01  0.637779D-01
                66            67            68            69            70 
      1   0.120087D+01  0.154685D-01  0.118311D+00  0.756648D-01  0.132801D+01
      2   0.637779D-01  0.118311D+00  0.129263D+01  0.122410D+01  0.343082D+00
      3   0.285895D-01  0.756648D-01  0.122410D+01  0.101329D+01  0.206540D+00
                71            72            73            74            75 
      1   0.343082D+00  0.206540D+00  0.157350D+01  0.345160D+01 -0.130586D+00
      2   0.180440D+01  0.142484D+01  0.345160D+01  0.156023D+00  0.351691D+01
      3   0.142484D+01  0.845900D+01 -0.130586D+00  0.351691D+01  0.120447D+01
                76            77            78            79            80 
      1   0.395904D+01  0.961160D+00  0.343269D+01 -0.120318D+00  0.331499D+01
      2   0.961160D+00 -0.138780D+01  0.134996D+01  0.331499D+01  0.112506D+01
      3   0.343269D+01  0.134996D+01 -0.369632D+01  0.199680D+01 -0.398389D+01
                81            82            83            84            85 
      1   0.199680D+01  0.405054D+00  0.452070D+01 -0.937815D+00  0.425672D+01
      2  -0.398389D+01  0.452070D+01  0.251921D-01  0.313616D+01  0.407335D+00
      3  -0.286865D+00 -0.937815D+00  0.313616D+01  0.505217D+00  0.322565D+01
                86            87            88            89            90 
      1   0.407335D+00  0.322565D+01 -0.443456D+00  0.346538D+01  0.101966D+01
      2   0.139902D+01  0.353589D+00  0.346538D+01  0.139677D+01 -0.332981D+01
      3   0.353589D+00 -0.424669D+01  0.101966D+01 -0.332981D+01 -0.232591D+01
                91            92            93            94            95 
      1  -0.148396D+00  0.458903D+00 -0.125509D+01  0.116691D+01 -0.731114D+00
      2   0.458903D+00 -0.340443D+00  0.601672D-01 -0.731114D+00  0.980696D+00
      3  -0.125509D+01  0.601672D-01 -0.773716D+00  0.131399D+00 -0.187849D+01
                96            97            98            99           100 
      1   0.131399D+00 -0.160332D+01  0.602009D-01 -0.928210D+00 -0.195327D+01
      2  -0.187849D+01  0.602009D-01 -0.132407D+01  0.159908D+01 -0.205691D+01
      3   0.361193D+01 -0.928210D+00  0.159908D+01 -0.831367D+01 -0.631645D+00
               101           102           103           104           105 
      1  -0.205691D+01 -0.631645D+00 -0.216127D+01 -0.219920D+01 -0.791233D+00
      2  -0.239346D+01 -0.962901D+00 -0.219920D+01 -0.715504D+01 -0.242430D+01
      3  -0.962901D+00 -0.115905D+01 -0.791233D+00 -0.242430D+01 -0.161816D+01
               106           107           108           109           110 
      1  -0.151643D+00 -0.450055D+00 -0.954834D+00  0.461319D+01  0.323066D+01
      2  -0.450055D+00 -0.112849D+01 -0.110513D+01  0.323066D+01  0.410655D+01
      3  -0.954834D+00 -0.110513D+01 -0.165847D+01  0.381817D-01 -0.173895D+00
               111           112           113           114           115 
      1   0.381817D-01  0.236735D+01  0.210579D+01 -0.604684D-02  0.536826D+00
      2  -0.173895D+00  0.210579D+01  0.340376D+01  0.125745D-01  0.411251D+00
      3   0.910057D+00 -0.604684D-02  0.125745D-01  0.559812D+00  0.563013D+00
               116           117           118           119           120 
      1   0.411251D+00  0.563013D+00  0.533799D+00  0.225689D+00 -0.570436D+00
      2   0.675377D+00  0.656371D+00  0.225689D+00  0.496065D+00 -0.575222D+00
      3   0.656371D+00 -0.245231D-01 -0.570436D+00 -0.575222D+00  0.474104D+00
               121           122           123           124           125 
      1   0.835655D+00 -0.536870D+00 -0.460671D-01 -0.131443D+01  0.949052D-01
      2  -0.536870D+00  0.423648D+01 -0.251676D+01  0.949052D-01 -0.285961D+01
      3  -0.460671D-01 -0.251676D+01  0.278499D+01 -0.551487D+00  0.290395D+01
               126           127           128           129           130 
      1  -0.551487D+00 -0.304344D+01  0.118120D+01  0.146337D+01  0.140470D+01
      2   0.290395D+01  0.118120D+01 -0.126212D+01 -0.105147D+01 -0.181791D+01
      3  -0.385701D+01  0.146337D+01 -0.105147D+01 -0.139935D+01 -0.127119D+01
               131           132           133           134           135 
      1  -0.181791D+01 -0.127119D+01  0.303998D+01 -0.191733D+01 -0.219313D+01
      2   0.295860D+01  0.139241D+01 -0.191733D+01  0.227994D+01  0.217886D+01
      3   0.139241D+01  0.189356D+01 -0.219313D+01  0.217886D+01  0.383672D+01
               136           137           138           139           140 
      1  -0.702918D+01 -0.187271D+01 -0.189258D+01 -0.402424D+01 -0.187645D+01
      2  -0.187271D+01 -0.152416D+01 -0.825686D+00 -0.187645D+01 -0.198239D+01
      3  -0.189258D+01 -0.825686D+00 -0.165005D+01 -0.137277D+01 -0.875949D+00
               141           142           143           144           145 
      1  -0.137277D+01 -0.226905D+01 -0.841733D+00 -0.194187D+01  0.360851D+01
      2  -0.875949D+00 -0.841733D+00 -0.798444D+00 -0.220287D+00 -0.225908D+01
      3  -0.843171D+00 -0.194187D+01 -0.220287D+00 -0.148206D+01  0.105602D+01
               146           147           148           149           150 
      1  -0.225908D+01  0.105602D+01 -0.214860D+01  0.164528D+01 -0.979025D+00
      2   0.275747D+01 -0.164196D+01  0.164528D+01 -0.381942D+01  0.150448D+01
      3  -0.164196D+01  0.186451D+01 -0.979025D+00  0.150448D+01 -0.101716D+01
               151           152           153           154           155 
      1   0.848524D+00 -0.907426D+00  0.892944D+00 -0.490589D+01 -0.328818D+01
      2  -0.907426D+00  0.103157D+01 -0.905829D+00 -0.328818D+01 -0.293293D+01
      3   0.892944D+00 -0.905829D+00  0.173084D+01  0.728307D-01 -0.194171D+00
               156           157           158           159           160 
      1   0.728307D-01 -0.312405D+01 -0.273512D+01 -0.289664D+00 -0.116597D+01
      2  -0.194171D+00 -0.273512D+01 -0.428816D+01  0.295208D-01 -0.102566D+01
      3  -0.122022D+01 -0.289664D+00  0.295208D-01 -0.566064D+00 -0.844596D+00
               161           162           163           164           165 
      1  -0.102566D+01 -0.844596D+00 -0.159230D+01 -0.123672D-01  0.173889D+01
      2  -0.124320D+01 -0.350720D+00 -0.123672D-01 -0.497803D+00 -0.561773D+00
      3  -0.350720D+00 -0.405985D+00  0.173889D+01 -0.561773D+00 -0.186402D+01
               166           167           168           169           170 
      1   0.737533D+00 -0.535968D+00 -0.119395D+01  0.190327D+01 -0.617826D+00
      2  -0.535968D+00  0.130733D+01  0.117737D+01 -0.617826D+00  0.129934D+01
      3  -0.119395D+01  0.117737D+01  0.289690D+01 -0.233968D+01  0.119351D+01
               171 
      1  -0.233968D+01
      2   0.119351D+01
      3   0.688324D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.590066D+00 -0.293625D+00  0.782167D+00 -0.469646D+01  0.319154D+01
      2   0.618093D+01 -0.186073D+01  0.614631D+01 -0.489336D+01  0.107375D+00
      3  -0.571835D+01 -0.397750D+01  0.140592D+01  0.772675D+01  0.311133D+01
                 6             7             8             9            10 
      1  -0.362351D+01  0.246642D+01  0.161758D+00 -0.378837D+01 -0.190609D+01
      2  -0.741385D+00 -0.571689D+01 -0.350561D+01 -0.255451D+01 -0.474916D-01
      3   0.246194D+01  0.382590D+01 -0.138505D+01  0.166044D+01  0.538258D+01
                11            12            13            14            15 
      1  -0.298012D+01 -0.943533D+00  0.204148D+01 -0.101516D+02 -0.277305D+01
      2   0.356309D+01 -0.793355D+01  0.786702D+01 -0.183093D+01 -0.108703D+01
      3   0.826554D+01 -0.300711D+01  0.727355D+01 -0.415095D+01  0.129151D+00
                16            17            18            19            20 
      1  -0.289344D+01  0.668658D+01  0.736767D+01  0.103749D+01  0.464842D+01
      2  -0.717991D+01  0.173891D+01 -0.354339D+01  0.245883D+01  0.154607D+01
      3  -0.704650D+01  0.494827D+01  0.728714D+00 -0.645461D+01 -0.166458D+02
                21            22            23            24            25 
      1  -0.145266D-01 -0.441071D+00  0.321929D+01 -0.189885D+01  0.265826D+01
      2   0.156744D+02 -0.413786D+00  0.273513D+01  0.358034D+00  0.391953D+01
      3  -0.168573D+01 -0.365729D+01 -0.142801D+01 -0.138995D+01  0.842536D+00
                26            27            28            29            30 
      1   0.199132D+01 -0.942754D+00  0.242600D+01 -0.152558D+01  0.199277D+01
      2   0.602756D-01  0.686251D+01  0.219721D+01 -0.435746D+01  0.516523D+00
      3  -0.402958D+01 -0.267184D+01 -0.143072D+01 -0.155129D+01  0.164551D+01
                31            32            33            34            35 
      1  -0.252013D+01  0.134082D+00  0.155111D+01  0.104544D+01  0.476003D+01
      2  -0.465511D+01  0.191850D+01 -0.182665D+01 -0.536344D+01 -0.324106D+00
      3   0.464313D+01  0.660432D+01 -0.563589D+00  0.310583D+01 -0.890384D+00
                36            37            38            39            40 
      1   0.110464D+01 -0.535453D+00 -0.850546D-01 -0.812090D+00  0.637278D+00
      2  -0.272130D+01 -0.956223D+00  0.553666D+01  0.713783D+01  0.520110D+01
      3   0.174684D+00 -0.501619D+01 -0.485446D+01 -0.430649D+01  0.438317D+01
                41            42            43            44            45 
      1   0.814060D+00 -0.303363D+01 -0.424847D-01  0.523941D+01 -0.123838D+01
      2   0.915844D+00 -0.410063D+01 -0.285803D+01 -0.366183D+01 -0.216268D+01
      3  -0.924097D+00 -0.330980D+00 -0.338003D+01 -0.259706D+00  0.548785D+01
                46            47            48            49            50 
      1  -0.142063D+01 -0.354954D+01  0.657865D+00 -0.341300D+01 -0.566472D+01
      2  -0.458111D+01  0.112459D+01 -0.248093D+01  0.544589D+00  0.256997D+01
      3   0.662464D+01  0.146633D+01  0.211175D+01  0.468671D+01 -0.159925D+00
                51            52            53            54            55 
      1  -0.116417D+02 -0.978796D+00 -0.318215D+01  0.957145D+01  0.264201D+01
      2   0.535520D+01 -0.553508D+01  0.293789D+01  0.193351D+01 -0.204202D+01
      3   0.146204D+01  0.120407D+00 -0.544720D+00 -0.555371D+01 -0.114984D+02
                56            57            58            59            60 
      1   0.864468D+00  0.887830D+00  0.193822D+01  0.522449D+01 -0.664760D+01
      2  -0.204767D+01  0.174511D+01 -0.368656D+00 -0.225022D+01  0.577592D+00
      3  -0.659127D+01 -0.123739D+01  0.204422D+01 -0.571260D+01  0.396965D+00
                61            62            63            64            65 
      1   0.826426D+00  0.656728D+00  0.442408D+01 -0.688000D+00  0.461905D-01
      2  -0.304742D+01  0.445118D-01 -0.110259D+01  0.782766D+00  0.776444D+00
      3  -0.409064D+01  0.151554D+01 -0.138167D+01 -0.937303D-01 -0.107490D+01
                66            67            68            69            70 
      1   0.213897D+00  0.186270D-01  0.251135D+00 -0.237521D+00  0.811073D+00
      2   0.276514D+00 -0.150544D+00  0.322973D+00  0.112873D+00 -0.414897D+01
      3   0.289084D+00  0.924533D+00 -0.334530D+00 -0.340439D+00  0.166326D+01
                71            72            73            74            75 
      1   0.317854D+01 -0.537605D+01 -0.924353D+00 -0.310184D+01 -0.290705D+01
      2  -0.410264D+00  0.292296D+01  0.155190D+01 -0.800874D+01 -0.216216D+01
      3  -0.497852D+00 -0.404230D+00  0.115597D+02  0.148237D+01  0.902035D+01
                76            77            78            79            80 
      1  -0.343853D+01 -0.271156D+00  0.127694D+01 -0.435409D+01  0.539311D+01
      2  -0.806961D+01 -0.313117D+01  0.106846D+02 -0.949858D+01  0.121037D+02
      3   0.991346D+01 -0.360581D+01  0.661764D+01  0.885476D+01  0.577161D+01
                81            82            83            84            85 
      1   0.213083D+01  0.540968D+01  0.463598D+01  0.599730D+01  0.569820D+01
      2   0.106581D+01  0.186165D+00 -0.131137D+02  0.325326D+01 -0.118237D+02
      3  -0.838301D+01  0.572681D+01 -0.906025D+01  0.728542D+01 -0.275642D+01
                86            87            88            89            90 
      1   0.419951D+01 -0.756590D+01  0.657510D+01 -0.104312D+01 -0.100965D+02
      2  -0.109362D+01  0.839578D+00 -0.312275D+01 -0.656812D-02  0.335891D+01
      3   0.235900D+01 -0.408407D+01  0.576816D+01 -0.332099D+01 -0.622163D+01
                91            92            93            94            95 
      1  -0.209216D+01  0.802209D+00 -0.612086D+00  0.219649D+01 -0.472697D+01
      2  -0.130335D+00  0.120507D+01 -0.919898D+00  0.320057D+01 -0.619397D+00
      3   0.222786D+00 -0.165030D+01  0.608618D+00 -0.701468D+00  0.177136D+01
                96            97            98            99           100 
      1   0.565992D+01 -0.132385D+01  0.635675D+01 -0.102102D+02  0.245293D+01
      2  -0.195336D+01 -0.464697D+01 -0.894068D+00  0.229408D+01 -0.276002D+01
      3  -0.153141D+01  0.998810D+00 -0.981268D+00  0.288878D+01  0.198329D+01
               101           102           103           104           105 
      1   0.271637D+01 -0.607913D+00  0.264912D+01  0.821091D+01 -0.859305D+00
      2  -0.220665D+01  0.129379D+01 -0.387519D+01 -0.235216D+01  0.130776D+00
      3  -0.169682D+00 -0.104688D+00  0.418043D+01 -0.211997D+01 -0.351528D+00
               106           107           108           109           110 
      1  -0.557766D+00  0.105051D+01 -0.184168D+00 -0.150603D+01 -0.483863D+00
      2  -0.588525D+00 -0.438023D+00 -0.847610D+00  0.158554D+01  0.144114D+01
      3   0.453501D+00  0.118302D+00  0.120614D+01  0.111880D+02  0.388546D+01
               111           112           113           114           115 
      1  -0.222426D+01 -0.931384D+00 -0.381924D+00 -0.152502D+01 -0.119532D+01
      2   0.164608D+01  0.854019D+00  0.104975D+01  0.822593D+00 -0.585654D-01
      3   0.422839D+00  0.453391D+01  0.397017D+01 -0.170908D-01  0.145506D+01
               116           117           118           119           120 
      1  -0.353407D+00  0.914252D-01  0.239489D+00 -0.248553D+00 -0.161874D+00
      2   0.674874D+00  0.355706D+00  0.233807D+01  0.143690D+01 -0.878720D+00
      3   0.169540D+00  0.771611D+00  0.167051D+01  0.109790D+01 -0.179220D+01
               121           122           123           124           125 
      1   0.207686D+00 -0.764222D+00 -0.311279D+01  0.298940D+00  0.551404D+00
      2   0.185497D+01  0.592559D+01 -0.715444D+01 -0.180576D+01 -0.691964D+01
      3   0.193707D+01  0.101900D+02 -0.650094D+01 -0.243965D+01 -0.714496D+01
               126           127           128           129           130 
      1   0.297775D+01 -0.182781D+01  0.104144D+01  0.233657D+01  0.171629D+01
      2   0.893351D+01 -0.411108D+01  0.332987D+01  0.550546D+01  0.298098D+01
      3   0.664280D+01  0.180767D+00 -0.352772D+01 -0.162811D+01 -0.185089D+01
               131           132           133           134           135 
      1  -0.148523D+01 -0.380953D+01  0.228005D+01 -0.749684D+00 -0.546700D+01
      2  -0.414261D+01 -0.610322D+01  0.407762D+01 -0.591902D+01 -0.112734D+02
      3   0.631922D+01  0.250996D+01 -0.154092D+01  0.514039D+01  0.404127D+01
               136           137           138           139           140 
      1   0.217182D+01  0.196337D+01  0.988907D+00  0.148189D+01  0.219766D+01
      2   0.180392D+01  0.136290D+01  0.546826D+01  0.154888D+01  0.156090D+01
      3  -0.926600D+01 -0.763498D+01 -0.369637D+01 -0.577222D+01 -0.787404D+01
               141           142           143           144           145 
      1  -0.367354D+00  0.158583D+01  0.162947D+01  0.606589D+00 -0.204485D+01
      2   0.269837D+01  0.251492D+01  0.264208D+00  0.337254D+01 -0.859065D+01
      3  -0.311725D+01 -0.359389D+01 -0.350464D+01 -0.190765D+01 -0.996154D+01
               146           147           148           149           150 
      1   0.236019D+01  0.122896D+01  0.118895D+01 -0.367466D+01 -0.841111D+00
      2   0.534539D+01 -0.204439D+01  0.528407D+01 -0.439024D+01  0.216707D+01
      3   0.512549D+01 -0.308440D+01  0.723060D+01 -0.640030D+01  0.322722D+01
               151           152           153           154           155 
      1   0.265741D-01  0.140824D+01  0.120537D+01 -0.477211D+01 -0.443501D+01
      2  -0.356589D+01  0.266198D+01 -0.309032D+01  0.614255D+01  0.467078D+01
      3  -0.280796D+01  0.229420D+01 -0.246594D+01  0.249323D+01 -0.206107D+01
               156           157           158           159           160 
      1  -0.352677D+01 -0.441956D+01 -0.576306D+01 -0.261135D+01 -0.227015D+01
      2   0.409924D+01  0.497707D+01  0.386673D+01  0.237186D+01  0.171966D+01
      3  -0.984398D-01  0.200291D+01 -0.363325D+01  0.498281D+00  0.515139D+00
               161           162           163           164           165 
      1  -0.850146D+00 -0.169917D+01  0.192814D+01 -0.237545D+01 -0.327615D+01
      2   0.155373D+01  0.225403D+01  0.697278D-01  0.857244D+00  0.177301D+01
      3  -0.980615D+00  0.557798D+00  0.136256D+01 -0.182489D+01 -0.275198D+01
               166           167           168           169           170 
      1  -0.199279D+01  0.483962D+01  0.394410D+01 -0.391368D+01  0.641562D+01
      2  -0.632716D-01 -0.116242D+01 -0.315178D+01 -0.146354D+01 -0.100850D+01
      3  -0.373532D+00  0.306572D+01  0.299838D+01 -0.270376D+01  0.358191D+01
               171 
      1   0.101262D+02
      2  -0.813216D+01
      3   0.482957D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.839825D+01 -0.214637D+01 -0.377965D+01  0.237626D+01 -0.969646D+01
      2  -0.380215D+01  0.721373D+00 -0.137280D+00 -0.263113D+01  0.158789D+02
      3  -0.459610D+01  0.142499D+01  0.391693D+01  0.254872D+00 -0.618246D+01
      4  -0.659754D+01  0.139216D+02  0.386201D+01  0.770839D+01 -0.704272D+01
      5  -0.662775D+01  0.463967D+01  0.128229D+02  0.391205D+01 -0.462974D+01
      6   0.340170D+01  0.531070D+00 -0.131401D+01 -0.150975D+01  0.837637D+01
                 6             7             8             9            10 
      1  -0.488105D+01  0.229061D+01 -0.444811D+01 -0.982700D+01 -0.486615D+02
      2   0.205408D+01  0.360715D+00  0.238417D+01 -0.311797D+01  0.279878D+02
      3   0.282697D+01 -0.265132D+01  0.206394D+01  0.129450D+02  0.206737D+02
      4  -0.245102D+01  0.353863D+01  0.245711D+01 -0.365116D+01 -0.440004D+01
      5   0.850910D+00  0.725084D+01 -0.386624D+01 -0.397444D+01 -0.177300D+02
      6   0.794412D+01 -0.103561D+01  0.950433D+01  0.835432D+01  0.336361D+01
                11            12            13            14            15 
      1  -0.128984D+01 -0.988222D+01 -0.671200D+01  0.930821D+00  0.791049D+01
      2  -0.431464D+01  0.794357D+01  0.289658D+01 -0.127915D+01 -0.137351D+01
      3   0.560448D+01  0.193866D+01  0.381541D+01  0.348327D+00 -0.653698D+01
      4  -0.128743D+02  0.120525D+01  0.335771D+01 -0.326891D+01  0.603376D+00
      5   0.682020D+00 -0.170183D+02 -0.246186D+01  0.242828D-01 -0.202926D+01
      6  -0.446982D+01  0.189468D+01 -0.340822D+00 -0.543136D+01  0.622734D+00
                16            17            18            19            20 
      1  -0.150295D+02  0.683265D+01 -0.126402D+01  0.999385D+02  0.274021D+01
      2   0.734357D+01 -0.700459D+01  0.847708D+00 -0.543549D+02  0.205447D+01
      3   0.768593D+01  0.171945D+00  0.416316D+00 -0.455836D+02 -0.479468D+01
      4  -0.213164D+01 -0.695500D+01  0.134690D+01  0.656961D+00  0.227542D+02
      5  -0.199123D+01  0.291706D+01 -0.672985D+01  0.237032D+02 -0.592944D+00
      6   0.198721D+01 -0.190448D+01 -0.459344D+01 -0.536770D+01  0.244627D+01
                21            22            23            24            25 
      1   0.161232D+02  0.308757D+01  0.102721D+02 -0.174643D+01  0.118120D+02
      2  -0.118966D+02 -0.272402D+01 -0.760594D+00  0.556699D+00 -0.986108D+01
      3  -0.422663D+01 -0.363552D+00 -0.951149D+01  0.118973D+01 -0.195092D+01
      4  -0.971900D+00  0.224215D+02  0.144524D+01  0.567982D+01 -0.853033D+00
      5   0.270883D+02 -0.102354D+01  0.460134D+01  0.628766D+00  0.277840D+02
      6  -0.278709D+01  0.343130D+01 -0.460202D+00  0.499966D+01 -0.253071D+01
                26            27            28            29            30 
      1  -0.835117D+00  0.128847D+02 -0.736315D+01  0.481264D+01  0.238575D+01
      2   0.785507D+00 -0.136113D+02  0.479151D+01 -0.518700D+01 -0.112156D+01
      3   0.496091D-01  0.726660D+00  0.257163D+01  0.374361D+00 -0.126418D+01
      4   0.568405D+01 -0.116945D+01  0.121155D+01 -0.281819D+00 -0.234992D+00
      5  -0.168753D+00  0.172019D+02  0.242246D+01  0.142295D+00 -0.549729D+00
      6   0.501384D+01 -0.195862D+01  0.144339D+01 -0.507096D+00 -0.236653D+01
                31            32            33            34            35 
      1  -0.498531D+01  0.730571D+01 -0.688743D+01 -0.675246D+00 -0.828727D+01
      2   0.318180D+01 -0.134081D+02  0.543557D+01  0.252809D+00  0.153249D+02
      3   0.180351D+01  0.610238D+01  0.145186D+01  0.422437D+00 -0.703766D+01
      4  -0.336267D+01 -0.241106D+01  0.172868D+01 -0.927931D+00 -0.774244D+00
      5  -0.487427D+00  0.492808D+00 -0.395708D+01 -0.234547D+01 -0.104133D+01
      6   0.147869D+01  0.245652D+01 -0.264956D+01 -0.112686D+00 -0.206669D+01
                36            37            38            39            40 
      1   0.100194D+02  0.169556D+01  0.905029D+01 -0.495373D+01  0.138988D+02
      2   0.105701D+02 -0.862318D+00 -0.211720D+01  0.325756D+01 -0.413391D+01
      3  -0.205895D+02 -0.833246D+00 -0.693309D+01  0.169617D+01 -0.976491D+01
      4   0.663940D+00  0.126388D+02 -0.348490D+00  0.573792D+01 -0.430832D+00
      5  -0.570356D+01 -0.534852D+01  0.626252D+01  0.232591D+01  0.108059D+02
      6  -0.110581D+02 -0.288381D+01  0.507907D+01  0.745226D+00  0.373896D+01
                41            42            43            44            45 
      1   0.671935D+00  0.745832D+01 -0.337847D+01  0.704744D+01  0.378910D+01
      2   0.290916D+01 -0.454741D+01  0.139033D+01 -0.208454D+01 -0.635152D+01
      3  -0.358110D+01 -0.291091D+01  0.198814D+01 -0.496290D+01  0.256241D+01
      4  -0.255815D+00  0.327746D+01  0.918744D+01  0.243220D+01 -0.906999D+01
      5   0.406220D+01 -0.965339D+01  0.382986D+01 -0.977551D+01  0.281941D+01
      6   0.469963D+01 -0.557757D+01 -0.237555D+01 -0.568023D+01  0.362397D+01
                46            47            48            49            50 
      1  -0.394492D+01  0.439032D+01  0.823665D+01  0.310565D+01  0.729821D+01
      2  -0.857624D+00 -0.818342D+01 -0.620939D+00 -0.785275D+01 -0.118555D+02
      3   0.480254D+01  0.379310D+01 -0.761571D+01  0.474711D+01  0.455724D+01
      4  -0.235425D+01 -0.117070D+02 -0.353770D+01 -0.691747D+01 -0.878658D+01
      5   0.333325D+01 -0.549681D+01 -0.708704D+01 -0.497723D+01 -0.722623D+01
      6   0.726439D+00 -0.101228D+02 -0.592851D+01 -0.879295D+01 -0.119779D+02
                51            52            53            54            55 
      1  -0.803286D+01  0.659565D+01 -0.615874D+01  0.726898D+01  0.364737D+01
      2  -0.114656D+02 -0.195533D+01 -0.774135D+01  0.108399D+02 -0.717822D+01
      3   0.194984D+02 -0.464032D+01  0.139001D+02 -0.181089D+02  0.353085D+01
      4  -0.541244D+01 -0.162036D+01 -0.231598D+01  0.131331D+01 -0.164431D+02
      5   0.472190D+01 -0.281853D+01  0.167166D+01 -0.569175D+01 -0.168395D+01
      6  -0.259805D+01 -0.274046D+01 -0.566837D+00  0.690349D+01 -0.382375D+01
                56            57            58            59            60 
      1   0.175392D+01 -0.352483D+00  0.323831D+01 -0.207663D+02  0.661022D+01
      2  -0.880549D+01  0.642733D+00 -0.571210D+01  0.316075D+02 -0.339765D+01
      3   0.705157D+01 -0.290251D+00  0.247380D+01 -0.108412D+02 -0.321257D+01
      4  -0.464533D+01 -0.285668D+01  0.297459D+00 -0.361231D+01 -0.206105D+01
      5  -0.646552D+00  0.339851D+01 -0.291465D+00 -0.127579D+01  0.195383D+01
      6  -0.184379D+01 -0.779451D+00 -0.174996D+01 -0.555921D+01  0.823033D+01
                61            62            63            64            65 
      1  -0.863323D+00  0.850409D+01 -0.874024D+01  0.255108D-01 -0.515024D+00
      2  -0.698982D+00 -0.136454D+02  0.310545D+01 -0.321405D+01 -0.103150D+00
      3   0.156231D+01  0.514136D+01  0.563479D+01  0.318854D+01  0.618174D+00
      4  -0.532276D+01 -0.407200D+01  0.513457D+00 -0.344493D+00  0.248563D+01
      5   0.327113D+01  0.200507D+01 -0.225478D+01  0.109531D+01  0.136244D+01
      6  -0.831373D+00  0.112617D+02 -0.598351D+01  0.230408D+01  0.240616D+00
                66            67            68            69            70 
      1   0.382788D+00  0.109794D+00 -0.579481D+01 -0.387243D+01  0.562561D+00
      2  -0.618221D+00 -0.161374D+00  0.283611D+01  0.120618D+01 -0.518544D+00
      3   0.235432D+00  0.515799D-01  0.295870D+01  0.266625D+01 -0.440173D-01
      4   0.251892D+01  0.173489D+01  0.616845D+00  0.313938D+00  0.177333D+01
      5   0.660913D+01  0.776783D+00  0.552050D+00  0.736306D+00  0.580823D+01
      6   0.680470D+00  0.297078D+00  0.505017D+01  0.845546D+01  0.796098D+00
                71            72            73            74            75 
      1  -0.517335D+01 -0.191895D+02 -0.125202D+02 -0.176190D+02 -0.412731D+01
      2   0.108910D+01 -0.148259D+02  0.111404D+02  0.112779D+02  0.645129D+01
      3   0.408426D+01  0.340154D+02  0.137983D+01  0.634111D+01 -0.232398D+01
      4   0.963271D+00  0.344025D+00 -0.181372D+02 -0.984786D+00 -0.168625D+02
      5   0.109734D+01  0.528367D+01 -0.187651D+01 -0.187310D+02 -0.925265D+01
      6   0.799728D+01  0.170706D+02 -0.559044D+01  0.398460D+01  0.657419D+00
                76            77            78            79            80 
      1  -0.226291D+02 -0.557927D+00 -0.211039D+02 -0.440540D+01 -0.195912D+02
      2   0.143363D+02  0.708853D+00  0.107807D+02  0.691289D+01  0.893721D+01
      3   0.829280D+01 -0.150926D+00  0.103233D+02 -0.250750D+01  0.106540D+02
      4  -0.426217D+01  0.404196D+01 -0.118906D+01 -0.195691D+02  0.122246D+01
      5  -0.223757D+02 -0.414446D+01  0.140853D+02 -0.128142D+02  0.161464D+02
      6   0.338126D+01  0.193557D+01 -0.973249D+01  0.380416D+01 -0.103173D+02
                81            82            83            84            85 
      1  -0.265458D+01  0.386968D+01 -0.202201D+02  0.435989D+01 -0.201386D+02
      2  -0.208288D+01 -0.108475D+02  0.209038D+01 -0.119467D+02 -0.364168D+00
      3   0.473747D+01  0.697781D+01  0.181297D+02  0.758679D+01  0.205028D+02
      4   0.168160D+02 -0.133865D+02 -0.145746D+02 -0.534540D+01 -0.151110D+02
      5   0.419493D+01  0.674699D+00  0.866299D+00 -0.512229D+01 -0.152098D+01
      6  -0.251111D+00  0.796273D+01 -0.758699D+01  0.663500D+01 -0.716122D+01
                86            87            88            89            90 
      1  -0.224872D+01 -0.308274D+01  0.174434D+01 -0.405833D+01 -0.230104D+01
      2  -0.420468D+01  0.106337D+02 -0.124373D+02  0.818232D+01  0.155384D+02
      3   0.645340D+01 -0.755093D+01  0.106930D+02 -0.412400D+01 -0.132374D+02
      4  -0.478459D+01 -0.766857D+01 -0.919337D+01 -0.106875D+02  0.973216D+01
      5  -0.335087D+01  0.187994D+02 -0.644454D+01  0.163543D+02  0.965948D+01
      6  -0.816300D+00  0.535388D+01  0.720594D+01  0.620733D+01 -0.836148D+01
                91            92            93            94            95 
      1  -0.651689D+00 -0.661912D+00  0.884071D-01 -0.730852D+00 -0.518502D+01
      2  -0.426951D+01  0.137529D+01 -0.174003D+01  0.257455D+01 -0.117976D+01
      3   0.492120D+01 -0.713376D+00  0.165163D+01 -0.184370D+01  0.636478D+01
      4  -0.184887D+00  0.219300D+01  0.758112D+00  0.162647D+01  0.135683D+00
      5   0.195856D+01 -0.129463D+01  0.852243D+01 -0.278610D+01  0.249442D+01
      6  -0.849134D+00  0.118947D+01  0.591754D+00  0.276098D+01 -0.315146D+01
                96            97            98            99           100 
      1   0.762662D+01 -0.202659D+01  0.307432D+01 -0.218757D+02  0.377231D+00
      2   0.887336D+01 -0.180654D+01  0.478016D+01 -0.206105D+02  0.468223D+01
      3  -0.165000D+02  0.383313D+01 -0.785448D+01  0.424861D+02 -0.505946D+01
      4   0.211862D+01  0.797983D+00  0.163991D+01 -0.117406D+01  0.911757D+01
      5  -0.414577D+01  0.722916D+01 -0.952027D+00  0.862544D+01  0.527587D+01
      6   0.610514D+01  0.182660D-01  0.599087D+01  0.103856D+00  0.582068D+01
               101           102           103           104           105 
      1  -0.305810D+01 -0.201141D+01 -0.331998D+01 -0.184791D+02 -0.710406D+01
      2   0.680061D+01  0.101034D+01  0.682863D+01  0.290392D+02  0.727399D+01
      3  -0.374251D+01  0.100107D+01 -0.350866D+01 -0.105601D+02 -0.169932D+00
      4   0.119884D+02  0.433263D+01  0.111325D+02  0.156727D+02  0.517809D+01
      5   0.619470D+01  0.504340D+01  0.535942D+01  0.663191D+01  0.404501D+01
      6   0.743106D+01  0.548120D+01  0.651745D+01  0.220695D+02  0.129595D+02
               106           107           108           109           110 
      1  -0.246380D+01 -0.368410D+01 -0.620132D+01  0.184428D+01 -0.293784D+01
      2   0.281508D+00  0.231760D+01  0.194814D+01  0.897807D+01  0.136545D+02
      3   0.218229D+01  0.136650D+01  0.425318D+01 -0.108224D+02 -0.107167D+02
      4   0.145791D+01  0.244674D+01  0.328198D+01  0.212169D+02  0.185174D+02
      5   0.262867D+01  0.292841D+01  0.338520D+01 -0.168276D+00 -0.200911D+00
      6   0.366760D+01  0.896578D+01  0.611996D+01  0.179553D+01  0.909572D+00
               111           112           113           114           115 
      1   0.150969D+00 -0.183453D+01 -0.495354D+01 -0.210800D+00 -0.252866D+00
      2  -0.515916D+00  0.833352D+01  0.141735D+02  0.418851D+00  0.115468D+01
      3   0.364948D+00 -0.649900D+01 -0.921999D+01 -0.208051D+00 -0.901811D+00
      4   0.402961D+00  0.121729D+02  0.119908D+02  0.221116D+00  0.260982D+01
      5   0.197545D+01 -0.268890D+00  0.206395D+00  0.797981D+00  0.277110D+01
      6   0.307181D+01  0.774979D+00  0.122908D+01  0.250742D+01  0.332308D+01
               116           117           118           119           120 
      1  -0.108938D+01 -0.981847D+00 -0.171668D+01 -0.172629D+01  0.416824D+01
      2   0.214065D+01  0.121570D+01  0.834406D+00  0.917869D+00 -0.158015D+01
      3  -0.105127D+01 -0.233856D+00  0.882274D+00  0.808424D+00 -0.258809D+01
      4   0.239308D+01  0.308155D+01  0.101551D+01  0.142555D+01 -0.434032D-01
      5   0.190725D+01  0.500253D+00  0.151269D+01  0.826220D+00  0.115807D+01
      6   0.421068D+01  0.482586D+00 -0.167281D+01 -0.105878D+01  0.865752D+00
               121           122           123           124           125 
      1  -0.325048D+01 -0.904241D+01  0.866270D+01  0.616995D+01  0.881292D+01
      2   0.103036D+01  0.121519D+02 -0.583328D+01 -0.314640D+01 -0.611194D+01
      3   0.222012D+01 -0.310951D+01 -0.282941D+01 -0.302355D+01 -0.270098D+01
      4   0.643104D+01 -0.164194D+02  0.943934D+01 -0.290859D+01  0.107246D+02
      5  -0.868395D+00  0.100220D+02 -0.119836D+02  0.579024D+01 -0.117097D+02
      6   0.749893D+00 -0.117667D+02  0.117043D+02 -0.138981D+01  0.121502D+02
               126           127           128           129           130 
      1  -0.876984D+01  0.165826D+02 -0.488825D+01 -0.680894D+01 -0.517522D+01
      2   0.896730D+00 -0.717995D+01 -0.474227D+00  0.182489D+01 -0.117316D+01
      3   0.787311D+01 -0.940266D+01  0.536248D+01  0.498405D+01  0.634838D+01
      4  -0.109792D+02 -0.103907D+02  0.103303D+02  0.832914D+01  0.132559D+02
      5   0.148143D+02 -0.903300D+01  0.715305D+01  0.107873D+02  0.804672D+01
      6  -0.125026D+02  0.417884D+01 -0.275570D+01 -0.308045D+01 -0.375620D+01
               131           132           133           134           135 
      1   0.212826D+01  0.321785D+01 -0.127969D+02  0.447706D+01  0.364455D+01
      2   0.557081D+01  0.130603D+01  0.508363D+01  0.160423D+01 -0.282300D+01
      3  -0.769907D+01 -0.452388D+01  0.771331D+01 -0.608128D+01 -0.821553D+00
      4  -0.166647D+02 -0.887508D+01  0.139490D+02 -0.135878D+02 -0.125711D+02
      5  -0.800364D+01 -0.103105D+02  0.151200D+02 -0.118457D+02 -0.216337D+02
      6   0.611427D+01  0.780407D+01 -0.561882D+01  0.862014D+01  0.102181D+02
               136           137           138           139           140 
      1   0.463339D+02  0.121587D+02  0.115717D+02  0.232988D+02  0.921289D+01
      2  -0.273144D+02 -0.806493D+01 -0.914303D+01 -0.139597D+02 -0.488757D+01
      3  -0.190194D+02 -0.409379D+01 -0.242867D+01 -0.933910D+01 -0.432532D+01
      4   0.878277D+01  0.100941D+02  0.400802D+01  0.121780D+02  0.122061D+02
      5   0.165503D+02  0.612992D+01  0.131547D+02  0.104805D+02  0.582448D+01
      6   0.155073D+01  0.105551D+01  0.270101D+00  0.194159D+01  0.261132D+01
               141           142           143           144           145 
      1   0.655606D+01  0.128804D+02  0.448466D+01  0.780331D+01 -0.942236D+01
      2  -0.554217D+01 -0.102139D+02 -0.369202D+01 -0.712960D+01  0.783489D+01
      3  -0.101389D+01 -0.266653D+01 -0.792641D+00 -0.673709D+00  0.158747D+01
      4   0.437860D+01  0.410185D+01  0.398524D+01  0.136034D+01 -0.697028D+01
      5   0.673341D+01  0.147673D+02  0.276585D+01  0.100700D+02  0.839614D+01
      6   0.328667D+01  0.448512D+00  0.353868D+01  0.106460D+01 -0.716216D+01
               146           147           148           149           150 
      1   0.132338D+02 -0.837219D+01  0.104874D+02 -0.149052D+02  0.801161D+01
      2  -0.110330D+02  0.309842D+01 -0.808315D+01  0.171281D+02 -0.543712D+01
      3  -0.220085D+01  0.527377D+01 -0.240421D+01 -0.222293D+01 -0.257448D+01
      4   0.463302D+01 -0.735620D+00  0.641026D+01 -0.730122D-01  0.769735D+00
      5  -0.343761D+01  0.238310D+01 -0.409302D+01  0.232287D+01 -0.201984D+01
      6   0.101960D+02 -0.887301D+01  0.657212D+01 -0.132461D+02  0.875896D+01
               151           152           153           154           155 
      1  -0.509264D+01  0.704597D+01 -0.769852D+01  0.207471D+02  0.950148D+01
      2   0.257358D+01 -0.393828D+01  0.564841D-01 -0.119486D+01  0.545752D+01
      3   0.251905D+01 -0.310769D+01  0.764203D+01 -0.195522D+02 -0.149590D+02
      4  -0.858850D+00  0.145149D+01 -0.190483D+01  0.253406D+02  0.215438D+02
      5   0.397105D+01 -0.216669D+01 -0.910544D-02 -0.752107D+01 -0.497581D+01
      6  -0.553455D+01  0.779484D+01 -0.693691D+01 -0.422369D+01 -0.372345D+01
               156           157           158           159           160 
      1   0.175727D+01  0.901664D+01  0.183961D+01  0.153492D+01  0.518877D+01
      2   0.248705D+01  0.555543D+01  0.141724D+02  0.500656D+00  0.143730D+01
      3  -0.424432D+01 -0.145721D+02 -0.160120D+02 -0.203558D+01 -0.662607D+01
      4   0.567925D+00  0.206452D+02  0.233210D+02  0.915022D+00  0.628341D+01
      5   0.629699D+01 -0.489357D+01 -0.380419D+01  0.199048D+01  0.394484D+01
      6   0.356033D+01 -0.314363D+01 -0.607811D+01  0.411571D+01  0.220176D+01
               161           162           163           164           165 
      1   0.163979D+01  0.246342D+01  0.446735D+01  0.215797D+00 -0.340207D+01
      2   0.281901D+01 -0.777030D+00 -0.699717D+01  0.253583D+01  0.983710D+01
      3  -0.445880D+01 -0.168639D+01  0.252982D+01 -0.275162D+01 -0.643503D+01
      4   0.639280D+01  0.368436D+01  0.132411D+01  0.413967D+01  0.723138D-01
      5   0.108589D+01  0.949816D+00 -0.107823D+02  0.232415D+01  0.136950D+02
      6   0.241648D+01  0.246907D+01 -0.974246D+00 -0.994899D+00  0.675319D+00
               166           167           168           169           170 
      1  -0.124037D+01 -0.436929D+00 -0.147171D+01 -0.302699D+01  0.602075D+00
      2   0.485275D+01 -0.378752D+01 -0.983372D+01  0.110796D+02 -0.695140D+01
      3  -0.361238D+01  0.422445D+01  0.113054D+02 -0.805266D+01  0.634933D+01
      4   0.344706D+01 -0.401530D+01 -0.281541D+01 -0.313765D+00 -0.340047D+01
      5   0.666688D+01 -0.479985D+01 -0.112438D+02  0.149826D+02 -0.525736D+01
      6  -0.103861D+01  0.515195D+01  0.394090D+01  0.812804D+00  0.547364D+01
               171 
      1  -0.919060D+01
      2  -0.245097D+02
      3   0.337003D+02
      4  -0.161824D+01
      5  -0.273560D+02
      6  -0.355785D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 21:17:21 2021, MaxMem= 10737418240 cpu:           23708.0 elap:            1483.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.52689 -19.50174 -19.47348 -10.57739 -10.51312
 Alpha  occ. eigenvalues --  -10.50480 -10.47249 -10.44628 -10.43996  -1.26245
 Alpha  occ. eigenvalues --   -1.18735  -1.17380  -0.98591  -0.87514  -0.84760
 Alpha  occ. eigenvalues --   -0.84344  -0.72396  -0.70258  -0.66852  -0.63954
 Alpha  occ. eigenvalues --   -0.61715  -0.59735  -0.58010  -0.55193  -0.54273
 Alpha  occ. eigenvalues --   -0.52991  -0.51521  -0.51073  -0.50283  -0.47649
 Alpha  occ. eigenvalues --   -0.45758  -0.44812  -0.42771  -0.41669  -0.38247
 Alpha virt. eigenvalues --   -0.01491  -0.00468  -0.00215   0.00347   0.01637
 Alpha virt. eigenvalues --    0.01877   0.02315   0.02442   0.03379   0.04613
 Alpha virt. eigenvalues --    0.05672   0.06633   0.06847   0.07715   0.08045
 Alpha virt. eigenvalues --    0.08133   0.08780   0.10444   0.10902   0.11367
 Alpha virt. eigenvalues --    0.11830   0.12022   0.12521   0.12655   0.13671
 Alpha virt. eigenvalues --    0.14388   0.14527   0.15195   0.15562   0.15960
 Alpha virt. eigenvalues --    0.17054   0.17123   0.18720   0.19324   0.21472
 Alpha virt. eigenvalues --    0.21851   0.22462   0.23575   0.24101   0.24850
 Alpha virt. eigenvalues --    0.25743   0.26101   0.26796   0.27167   0.27982
 Alpha virt. eigenvalues --    0.28053   0.29376   0.29711   0.30393   0.30550
 Alpha virt. eigenvalues --    0.31515   0.32008   0.33060   0.33457   0.34078
 Alpha virt. eigenvalues --    0.34994   0.35277   0.35961   0.36699   0.37260
 Alpha virt. eigenvalues --    0.37911   0.38504   0.40176   0.40786   0.40891
 Alpha virt. eigenvalues --    0.42218   0.42473   0.42853   0.43340   0.44649
 Alpha virt. eigenvalues --    0.45313   0.45873   0.46473   0.46886   0.48193
 Alpha virt. eigenvalues --    0.48943   0.49411   0.50676   0.50877   0.52361
 Alpha virt. eigenvalues --    0.52993   0.53376   0.54312   0.55436   0.56278
 Alpha virt. eigenvalues --    0.56753   0.57186   0.57484   0.58042   0.58834
 Alpha virt. eigenvalues --    0.60399   0.61063   0.62043   0.63668   0.63955
 Alpha virt. eigenvalues --    0.64562   0.65347   0.66400   0.67331   0.68062
 Alpha virt. eigenvalues --    0.68848   0.69258   0.70316   0.71733   0.72259
 Alpha virt. eigenvalues --    0.72722   0.73570   0.74296   0.75492   0.75620
 Alpha virt. eigenvalues --    0.76792   0.77736   0.78278   0.79532   0.81174
 Alpha virt. eigenvalues --    0.82112   0.82566   0.83522   0.84487   0.85041
 Alpha virt. eigenvalues --    0.86116   0.87753   0.88620   0.90145   0.90801
 Alpha virt. eigenvalues --    0.92698   0.94430   0.95374   0.95578   0.97120
 Alpha virt. eigenvalues --    0.98729   1.00333   1.00701   1.03770   1.05817
 Alpha virt. eigenvalues --    1.07342   1.08763   1.09061   1.10349   1.12058
 Alpha virt. eigenvalues --    1.14398   1.15762   1.16972   1.17574   1.19698
 Alpha virt. eigenvalues --    1.20835   1.22831   1.24223   1.25737   1.26243
 Alpha virt. eigenvalues --    1.27604   1.28704   1.30755   1.32836   1.33066
 Alpha virt. eigenvalues --    1.37931   1.39730   1.41589   1.44442   1.45024
 Alpha virt. eigenvalues --    1.47685   1.48506   1.51061   1.51773   1.54490
 Alpha virt. eigenvalues --    1.56856   1.57846   1.60619   1.62256   1.63623
 Alpha virt. eigenvalues --    1.64871   1.66850   1.68758   1.69110   1.70786
 Alpha virt. eigenvalues --    1.72525   1.73255   1.75723   1.77832   1.78902
 Alpha virt. eigenvalues --    1.79931   1.81916   1.83452   1.83679   1.84911
 Alpha virt. eigenvalues --    1.86770   1.87821   1.88472   1.91145   1.92744
 Alpha virt. eigenvalues --    1.92982   1.93106   1.98432   2.00433   2.01737
 Alpha virt. eigenvalues --    2.03120   2.04431   2.05722   2.10526   2.11377
 Alpha virt. eigenvalues --    2.11821   2.14802   2.15525   2.16944   2.17736
 Alpha virt. eigenvalues --    2.20102   2.21562   2.24102   2.25999   2.28027
 Alpha virt. eigenvalues --    2.28732   2.31818   2.32773   2.34171   2.36083
 Alpha virt. eigenvalues --    2.36234   2.37817   2.39012   2.41997   2.45091
 Alpha virt. eigenvalues --    2.47045   2.49461   2.49850   2.52306   2.53831
 Alpha virt. eigenvalues --    2.59380   2.60492   2.62768   2.63997   2.65929
 Alpha virt. eigenvalues --    2.70256   2.70556   2.73064   2.75117   2.77480
 Alpha virt. eigenvalues --    2.81042   2.85194   2.94749   2.95998   3.02120
 Alpha virt. eigenvalues --    3.07772   3.12763   3.23647   3.25957   3.31298
 Alpha virt. eigenvalues --    3.45173   3.45851   3.49241   3.49695   3.51924
 Alpha virt. eigenvalues --    3.52828   3.56023   3.58871   3.61582   3.64076
 Alpha virt. eigenvalues --    3.64674   3.72129   3.77121   3.84489   3.91630
 Alpha virt. eigenvalues --    4.06674   4.14495
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.187022   0.062721  -0.056313  -0.088072   0.101365   0.226599
     2  C    0.062721   7.826748   0.628419  -1.829580  -0.242218  -0.407563
     3  O   -0.056313   0.628419   7.689175  -0.076662   0.036323   0.010481
     4  C   -0.088072  -1.829580  -0.076662   8.880137  -0.945286   0.053545
     5  C    0.101365  -0.242218   0.036323  -0.945286   9.629942  -0.373418
     6  C    0.226599  -0.407563   0.010481   0.053545  -0.373418   5.647508
     7  O    0.019374   0.146588   0.007566  -0.048205  -0.216102   0.094425
     8  H    0.052092   0.009678   0.011382  -0.786141   0.036349   0.026284
     9  C   -0.032687  -0.210796   0.008648   0.277140  -1.036020  -0.086498
    10  C    0.032109   0.196256  -0.003352  -0.687742   0.205883  -0.389372
    11  H   -0.029714   0.024661  -0.006237   0.027624   0.386361  -0.228781
    12  H   -0.195307   0.042654  -0.009231   0.158640  -0.371850   0.295385
    13  H   -0.001635  -0.081628   0.000667   0.046432   0.048450  -0.024609
    14  H   -0.007206  -0.024613   0.000249  -0.042050   0.435192   0.014363
    15  H   -0.003918  -0.004409   0.000298   0.004041  -0.110701   0.021818
    16  H    0.013195   0.010737   0.000151  -0.001034  -0.065231  -0.067022
    17  H    0.013745  -0.087340   0.010014   0.035704   0.226726  -0.052159
    18  H   -0.002305  -0.028626  -0.001106  -0.109805   0.208754   0.063258
    19  H   -0.005524   0.100625  -0.005008   0.095005  -0.173919  -0.044121
               7          8          9         10         11         12
     1  O    0.019374   0.052092  -0.032687   0.032109  -0.029714  -0.195307
     2  C    0.146588   0.009678  -0.210796   0.196256   0.024661   0.042654
     3  O    0.007566   0.011382   0.008648  -0.003352  -0.006237  -0.009231
     4  C   -0.048205  -0.786141   0.277140  -0.687742   0.027624   0.158640
     5  C   -0.216102   0.036349  -1.036020   0.205883   0.386361  -0.371850
     6  C    0.094425   0.026284  -0.086498  -0.389372  -0.228781   0.295385
     7  O    8.087289   0.051677  -0.044647   0.054772  -0.043213   0.014357
     8  H    0.051677   2.033867  -0.121535   0.171883   0.013921  -0.003939
     9  C   -0.044647  -0.121535   5.927710  -0.385585  -0.239929   0.101322
    10  C    0.054772   0.171883  -0.385585   5.611044   0.098640  -0.159906
    11  H   -0.043213   0.013921  -0.239929   0.098640   2.005371  -0.634501
    12  H    0.014357  -0.003939   0.101322  -0.159906  -0.634501   2.085613
    13  H    0.273064  -0.032766   0.005412  -0.015539   0.001247   0.001654
    14  H   -0.084087   0.005518   0.103757  -0.099890  -0.052015   0.008594
    15  H    0.034216  -0.023659   0.265610  -0.036322  -0.000501   0.006181
    16  H    0.019248   0.001833   0.003651   0.161695  -0.008581  -0.000603
    17  H   -0.009435  -0.019219  -0.094508   0.075272   0.027894  -0.052872
    18  H    0.001547   0.022774   0.122420   0.009041   0.019612  -0.056718
    19  H    0.014571  -0.041388   0.002611   0.206541  -0.015146   0.030791
              13         14         15         16         17         18
     1  O   -0.001635  -0.007206  -0.003918   0.013195   0.013745  -0.002305
     2  C   -0.081628  -0.024613  -0.004409   0.010737  -0.087340  -0.028626
     3  O    0.000667   0.000249   0.000298   0.000151   0.010014  -0.001106
     4  C    0.046432  -0.042050   0.004041  -0.001034   0.035704  -0.109805
     5  C    0.048450   0.435192  -0.110701  -0.065231   0.226726   0.208754
     6  C   -0.024609   0.014363   0.021818  -0.067022  -0.052159   0.063258
     7  O    0.273064  -0.084087   0.034216   0.019248  -0.009435   0.001547
     8  H   -0.032766   0.005518  -0.023659   0.001833  -0.019219   0.022774
     9  C    0.005412   0.103757   0.265610   0.003651  -0.094508   0.122420
    10  C   -0.015539  -0.099890  -0.036322   0.161695   0.075272   0.009041
    11  H    0.001247  -0.052015  -0.000501  -0.008581   0.027894   0.019612
    12  H    0.001654   0.008594   0.006181  -0.000603  -0.052872  -0.056718
    13  H    0.631443   0.004062  -0.001547   0.002513  -0.001479  -0.001471
    14  H    0.004062   1.927942  -0.477263  -0.503878  -0.031573   0.020872
    15  H   -0.001547  -0.477263   1.877442  -0.420834   0.025598   0.015973
    16  H    0.002513  -0.503878  -0.420834   1.962460   0.011402  -0.077088
    17  H   -0.001479  -0.031573   0.025598   0.011402   1.991494  -0.461980
    18  H   -0.001471   0.020872   0.015973  -0.077088  -0.461980   2.027937
    19  H    0.001413   0.009039  -0.068501   0.043970  -0.473733  -0.553157
              19
     1  O   -0.005524
     2  C    0.100625
     3  O   -0.005008
     4  C    0.095005
     5  C   -0.173919
     6  C   -0.044121
     7  O    0.014571
     8  H   -0.041388
     9  C    0.002611
    10  C    0.206541
    11  H   -0.015146
    12  H    0.030791
    13  H    0.001413
    14  H    0.009039
    15  H   -0.068501
    16  H    0.043970
    17  H   -0.473733
    18  H   -0.553157
    19  H    2.081807
 Mulliken charges:
               1
     1  O   -0.285542
     2  C   -0.132315
     3  O   -0.245465
     4  C    1.036311
     5  C   -1.780600
     6  C    1.219877
     7  O   -0.373006
     8  H   -0.408610
     9  C    1.433925
    10  C    0.954570
    11  H   -0.346714
    12  H   -0.260264
    13  H    0.144317
    14  H   -0.207014
    15  H   -0.103523
    16  H   -0.086585
    17  H   -0.133551
    18  H   -0.219932
    19  H   -0.205879
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.285542
     2  C   -0.132315
     3  O   -0.245465
     4  C    0.627701
     5  C   -1.780600
     6  C    0.612898
     7  O   -0.228689
     9  C    1.036803
    10  C    0.395209
 Electronic spatial extent (au):  <R**2>=           1088.0448
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.7713    Y=              0.2374    Z=              0.2836  Tot=              3.7894
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -62.3679   YY=            -53.6155   ZZ=            -52.7012
   XY=              5.8193   XZ=             -0.5846   YZ=              1.0236
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.1397   YY=              2.6127   ZZ=              3.5270
   XY=              5.8193   XZ=             -0.5846   YZ=              1.0236
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -19.9470  YYY=              5.2709  ZZZ=             -2.8035  XYY=              9.0283
  XXY=              8.7493  XXZ=             -6.2010  XZZ=             -0.1361  YZZ=              1.5184
  YYZ=              1.5910  XYZ=             -2.8330
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -830.5489 YYYY=           -378.6278 ZZZZ=           -250.7927 XXXY=             15.9298
 XXXZ=            -15.7599 YYYX=             30.2842 YYYZ=              5.9174 ZZZX=              0.0813
 ZZZY=              5.4303 XXYY=           -175.1865 XXZZ=           -172.5412 YYZZ=           -107.6824
 XXYZ=             -0.2297 YYXZ=              5.1280 ZZXY=             -0.1385
 N-N= 4.970319268020D+02 E-N=-2.068965905755D+03  KE= 4.570535955107D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 21:17:22 2021, MaxMem= 10737418240 cpu:               5.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.38050933D+00 1.20939964D-01 9.20778122D-02
 Polarizability= 8.73560390D+01 2.37664587D+00 7.40382106D+01
                 4.08341163D+00 1.01509089D+00 7.13563145D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.0787   -2.0756        1.0445    1.0479
 2      2.0787    2.0756       -0.6012   -0.6035       -7.0676   -7.0624
 3     -1.0445   -1.0479        8.2525    8.2520        0.6034    0.6035
 4      0.6012    0.6035        0.0000    0.0000       -1.0476   -1.0479
 5     -1.1849   -1.1896        1.0476    1.0479       -2.0743   -2.0756
 6     -0.6034   -0.6035        2.0743    2.0756       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        6.2267    6.2267        3.1438    3.1438
 2      1.8105    1.8105       -0.0000    0.0000        3.1438    3.1438
 3      1.8105    1.8105        6.2267    6.2267       -0.0000    0.0000
 4      6.2267    6.2267       -1.8105   -1.8105      -21.1873  -21.1873
 5     -3.1438   -3.1438       24.7559   24.7559        1.8105    1.8105
 6     -3.5687   -3.5687        3.1438    3.1438       -6.2267   -6.2267
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1628    0.0000        8.2779    8.3023       -4.0016   -4.1917
 2     -8.4798   -8.3023        2.4154    2.4141       28.5168   28.2497
 3      4.1050    4.1917      -32.4098  -33.0079       -2.2420   -2.4141
 4     -2.3887   -2.4141        0.0078    0.0000        4.2412    4.1917
 5      4.8985    4.7582       -3.8962   -4.1917        8.3784    8.3023
 6      2.4514    2.4141       -8.3128   -8.3023       -0.0375    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1572    0.0000       -5.6243   -5.9652      -13.3162  -13.4110
 2      5.9445    5.9652        2.2185    2.1590       -6.8921   -6.8317
 3     13.1872   13.4110      -23.0415  -23.1577       -1.2203   -2.1590
 4     -1.6924   -2.1590       -0.0850    0.0000       13.3228   13.4110
 5     29.6798   29.9893      -12.8846  -13.4110       -5.1977   -5.9652
 6      1.6653    2.1590        5.5619    5.9652        0.1179    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      5.4722    5.6396       -4.8635   -4.4849       27.8484   27.7940
 2      5.6412    5.2396       -8.0737   -8.0692       27.7093   27.7940
 3      5.7856    5.2396       -4.9243   -4.4849       40.1158   40.4648
 4      3.4648    3.5844        0.5175    0.4000      -17.1742  -17.1756
 5     12.4694   12.6708      -27.1426  -27.6669        0.7611   -0.4000
 6     44.6278   44.8425      -12.1566  -12.6708       -2.7487   -3.5844
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.5123   -3.5133   -0.0002    0.0004    0.0006    7.4972
 Low frequencies ---   79.8270  183.5030  209.6441
 Diagonal vibrational polarizability:
       11.1112142      31.7701491      20.4269910
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.8238               183.5024               209.6440
 Red. masses --      5.3286                 3.6827                 1.1920
 Frc consts  --      0.0200                 0.0731                 0.0309
 IR Inten    --      3.4978                 0.6266                 0.1246
 RamAct Fr= 1--      0.6236                 0.6082                 0.1581
  Dep-P Fr= 1--      0.7493                 0.7153                 0.7229
  Dep-U Fr= 1--      0.8567                 0.8340                 0.8391
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0001
 Beta2  Fr= 1--      0.0890                 0.0845                 0.0221
 AlphaG Fr= 1--      0.0002                -0.0036                -0.0004
 Gamma2 Fr= 1--     -0.0905                 0.1623                 0.0982
 Delta2 Fr= 1--     -0.0536                -0.0072                 0.0171
 Raman1 Fr= 1--       2.494                  2.433                  0.633
 ROA1   Fr= 1--     -10.399                 15.354                  9.972
 CID1   Fr= 1--      -4.169                  6.312                 15.764
 Raman2 Fr= 1--       1.068                  1.014                  0.265
 ROA2   Fr= 1--      -1.743                  3.954                  2.220
 CID2   Fr= 1--      -1.631                  3.897                  8.363
 Raman3 Fr= 1--       2.137                  2.029                  0.531
 ROA3   Fr= 1--     -10.399                 15.354                  9.972
 CID3   Fr= 1--      -4.867                  7.568                 18.786
 RC180  Fr= 1--       0.713                  0.668                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.11   0.06    -0.06  -0.17   0.23     0.02   0.00  -0.00
     2   6     0.03   0.01  -0.07    -0.01  -0.01   0.05     0.01   0.00   0.00
     3   8     0.08   0.19  -0.26     0.02   0.16  -0.09     0.00   0.02   0.01
     4   6     0.01  -0.08   0.06    -0.01   0.01   0.01    -0.01  -0.02  -0.00
     5   6    -0.01  -0.03  -0.01    -0.02   0.02  -0.01     0.00  -0.02  -0.01
     6   6    -0.00  -0.15   0.07     0.03   0.11  -0.03     0.01  -0.01  -0.01
     7   8    -0.01   0.05   0.27     0.05  -0.05  -0.08    -0.04  -0.03  -0.02
     8   1     0.03  -0.25   0.09    -0.04   0.07  -0.00    -0.02  -0.01  -0.00
     9   6     0.08   0.04  -0.16    -0.02   0.06   0.10     0.04   0.06   0.05
    10   6    -0.19   0.06   0.02    -0.00  -0.12  -0.14    -0.03  -0.03  -0.03
    11   1    -0.01  -0.25   0.01     0.31   0.27   0.05     0.02  -0.01  -0.01
    12   1     0.00  -0.17   0.17    -0.10   0.21  -0.27     0.03  -0.02  -0.02
    13   1     0.03  -0.03   0.28     0.11  -0.13  -0.17    -0.06   0.01  -0.01
    14   1     0.20  -0.03  -0.20    -0.03   0.20   0.23    -0.07  -0.26  -0.30
    15   1     0.05   0.14  -0.24    -0.03  -0.09   0.20     0.43   0.47  -0.02
    16   1     0.07   0.07  -0.18    -0.02   0.12  -0.01    -0.22   0.08   0.55
    17   1    -0.25   0.02   0.13    -0.03  -0.24  -0.31    -0.01   0.04   0.07
    18   1    -0.20   0.09  -0.02    -0.08  -0.00  -0.20     0.06  -0.10  -0.10
    19   1    -0.24   0.14  -0.05     0.10  -0.25  -0.02    -0.17  -0.04  -0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --    218.4362               250.2513               278.6421
 Red. masses --      2.8721                 1.2778                 2.6334
 Frc consts  --      0.0807                 0.0472                 0.1205
 IR Inten    --      1.3322                 1.3949                13.9168
 RamAct Fr= 1--      0.1987                 0.3180                 0.4136
  Dep-P Fr= 1--      0.7477                 0.7476                 0.6995
  Dep-U Fr= 1--      0.8556                 0.8556                 0.8232
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0004
 Beta2  Fr= 1--      0.0283                 0.0453                 0.0568
 AlphaG Fr= 1--     -0.0004                 0.0003                 0.0008
 Gamma2 Fr= 1--     -0.0860                -0.0079                 0.0624
 Delta2 Fr= 1--      0.0770                 0.0447                -0.1608
 Raman1 Fr= 1--       0.795                  1.272                  1.655
 ROA1   Fr= 1--      -5.793                  0.676                  0.846
 CID1   Fr= 1--      -7.288                  0.531                  0.511
 Raman2 Fr= 1--       0.340                  0.544                  0.681
 ROA2   Fr= 1--      -2.680                 -0.546                  2.784
 CID2   Fr= 1--      -7.880                 -1.004                  4.088
 Raman3 Fr= 1--       0.680                  1.088                  1.362
 ROA3   Fr= 1--      -5.793                  0.676                  0.846
 CID3   Fr= 1--      -8.517                  0.621                  0.621
 RC180  Fr= 1--       0.711                  0.711                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.07  -0.14   0.10     0.01  -0.03   0.02    -0.02   0.05  -0.04
     2   6    -0.02  -0.03  -0.03     0.01   0.01  -0.02    -0.07  -0.00   0.03
     3   8    -0.02  -0.08  -0.01    -0.01  -0.03   0.03    -0.07   0.11   0.01
     4   6     0.00   0.06  -0.05     0.00   0.02  -0.03    -0.04  -0.02   0.02
     5   6     0.01   0.04  -0.06     0.01   0.00  -0.02    -0.04   0.00  -0.03
     6   6     0.00   0.04  -0.05     0.01  -0.04  -0.00    -0.04  -0.02  -0.02
     7   8    -0.01   0.15   0.11    -0.08   0.06   0.02     0.25  -0.02   0.04
     8   1     0.00  -0.05  -0.03     0.01  -0.02  -0.03    -0.11  -0.04   0.02
     9   6    -0.07  -0.08  -0.05     0.02   0.02  -0.00    -0.10  -0.08  -0.03
    10   6     0.18   0.05  -0.01     0.04   0.00  -0.02     0.05   0.01   0.01
    11   1     0.16   0.10  -0.02     0.01  -0.08  -0.03    -0.08  -0.06  -0.04
    12   1    -0.11   0.10  -0.15     0.01  -0.05   0.04    -0.00  -0.04   0.04
    13   1    -0.04   0.17   0.21    -0.12   0.13   0.07     0.39  -0.30   0.01
    14   1    -0.20  -0.21  -0.23     0.01  -0.03  -0.06    -0.22  -0.28  -0.26
    15   1     0.02   0.08  -0.11     0.11   0.09  -0.01     0.05   0.15  -0.10
    16   1    -0.09  -0.18   0.17    -0.03   0.03   0.09    -0.16  -0.18   0.27
    17   1     0.33   0.33   0.14    -0.09  -0.35  -0.41     0.03  -0.13  -0.21
    18   1     0.41  -0.23  -0.01    -0.33   0.35   0.18    -0.12   0.14   0.17
    19   1    -0.06   0.04  -0.10     0.55   0.01   0.17     0.34   0.02   0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    310.0365               349.9609               367.2846
 Red. masses --      2.2932                 2.3697                 2.3850
 Frc consts  --      0.1299                 0.1710                 0.1896
 IR Inten    --      3.0351                 4.1394                 1.1630
 RamAct Fr= 1--      1.1930                 1.2137                 0.6241
  Dep-P Fr= 1--      0.6212                 0.2890                 0.5649
  Dep-U Fr= 1--      0.7664                 0.4484                 0.7220
 Alpha2 Fr= 1--      0.0028                 0.0129                 0.0022
 Beta2  Fr= 1--      0.1524                 0.0907                 0.0751
 AlphaG Fr= 1--      0.0082                -0.0027                -0.0093
 Gamma2 Fr= 1--      0.1650                 0.1806                -0.1710
 Delta2 Fr= 1--      0.0547                 0.1403                -0.0440
 Raman1 Fr= 1--       4.772                  4.855                  2.496
 ROA1   Fr= 1--      17.588                 21.829                -17.821
 CID1   Fr= 1--       3.686                  4.496                 -7.139
 Raman2 Fr= 1--       1.829                  1.088                  0.901
 ROA2   Fr= 1--       3.521                  3.213                 -3.751
 CID2   Fr= 1--       1.926                  2.952                 -4.162
 Raman3 Fr= 1--       3.657                  2.177                  1.802
 ROA3   Fr= 1--      17.588                 21.829                -17.821
 CID3   Fr= 1--       4.809                 10.028                 -9.888
 RC180  Fr= 1--       0.533                 -0.103                  0.444
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.03   0.02     0.06  -0.02   0.00     0.05  -0.06  -0.04
     2   6     0.06  -0.01   0.02     0.05   0.02  -0.03    -0.01  -0.05  -0.01
     3   8     0.09  -0.07  -0.07     0.04  -0.03   0.02    -0.04   0.08   0.04
     4   6     0.04   0.01   0.07     0.04   0.04  -0.07    -0.03  -0.10  -0.03
     5   6     0.01   0.02   0.07     0.02   0.02  -0.06    -0.01  -0.06  -0.07
     6   6     0.03   0.17   0.00     0.04  -0.08  -0.00     0.06   0.06  -0.14
     7   8    -0.04  -0.04  -0.02     0.07   0.08  -0.01    -0.03  -0.10   0.02
     8   1     0.07   0.06   0.06     0.02   0.00  -0.06    -0.06  -0.15  -0.02
     9   6    -0.06  -0.14  -0.07    -0.12  -0.08   0.16    -0.00   0.01   0.06
    10   6    -0.11   0.03   0.04    -0.15   0.06  -0.07     0.01   0.15   0.10
    11   1     0.12   0.38   0.13     0.02  -0.19  -0.08     0.19   0.26  -0.02
    12   1    -0.03   0.24  -0.23     0.07  -0.11   0.11     0.04   0.11  -0.38
    13   1    -0.04   0.02  -0.11    -0.04   0.20   0.27    -0.14   0.04   0.25
    14   1    -0.17  -0.32  -0.29    -0.39   0.05   0.20    -0.03   0.12   0.15
    15   1    -0.09   0.06  -0.21    -0.05  -0.26   0.30     0.07  -0.10   0.16
    16   1     0.01  -0.33   0.13    -0.10  -0.16   0.24    -0.05   0.09   0.02
    17   1    -0.22  -0.14   0.00    -0.25  -0.03   0.06    -0.02   0.16   0.21
    18   1    -0.25   0.20   0.05    -0.17   0.14  -0.19    -0.08   0.13   0.36
    19   1     0.02   0.08   0.06    -0.24   0.10  -0.14     0.13   0.42  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    377.1064               469.7915               543.6895
 Red. masses --      1.2292                 3.9103                 3.6256
 Frc consts  --      0.1030                 0.5085                 0.6314
 IR Inten    --    121.7275                 1.3797                 4.7780
 RamAct Fr= 1--      0.7802                 1.7077                 1.2453
  Dep-P Fr= 1--      0.7294                 0.6076                 0.2277
  Dep-U Fr= 1--      0.8436                 0.7559                 0.3710
 Alpha2 Fr= 1--      0.0003                 0.0045                 0.0157
 Beta2  Fr= 1--      0.1097                 0.2151                 0.0770
 AlphaG Fr= 1--      0.0004                -0.0096                -0.0167
 Gamma2 Fr= 1--      0.0341                 0.0788                -0.5868
 Delta2 Fr= 1--      0.0190                 0.1917                -0.2894
 Raman1 Fr= 1--       3.121                  6.831                  4.981
 ROA1   Fr= 1--       3.882                 13.704                -65.592
 CID1   Fr= 1--       1.244                  2.006                -13.168
 Raman2 Fr= 1--       1.316                  2.582                  0.924
 ROA2   Fr= 1--       0.667                  0.358                -11.768
 CID2   Fr= 1--       0.507                  0.139                -12.737
 Raman3 Fr= 1--       2.632                  5.163                  1.848
 ROA3   Fr= 1--       3.882                 13.704                -65.592
 CID3   Fr= 1--       1.475                  2.654                -35.495
 RC180  Fr= 1--       0.687                  0.512                 -0.258
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02   0.01    -0.04  -0.10  -0.06     0.00  -0.11  -0.09
     2   6    -0.00   0.00   0.02    -0.05   0.03  -0.15     0.04  -0.08  -0.09
     3   8     0.01   0.01  -0.03    -0.15   0.08   0.10    -0.04   0.13   0.12
     4   6    -0.01  -0.00   0.02     0.08   0.05  -0.10     0.15  -0.07   0.03
     5   6    -0.01   0.01   0.02     0.07  -0.09   0.12     0.07   0.18   0.07
     6   6    -0.02   0.01   0.02    -0.04   0.06  -0.01    -0.08   0.04   0.08
     7   8     0.05  -0.06  -0.06     0.08   0.14  -0.03    -0.07  -0.13   0.03
     8   1    -0.03   0.04   0.01     0.27   0.01  -0.10     0.40  -0.14   0.04
     9   6     0.00   0.01  -0.03     0.17  -0.10   0.02    -0.05   0.01  -0.01
    10   6     0.02  -0.03  -0.00    -0.11  -0.12   0.10     0.05   0.09  -0.12
    11   1    -0.04  -0.01   0.02    -0.01   0.31   0.15    -0.12  -0.09   0.01
    12   1    -0.02   0.01   0.04    -0.13   0.14  -0.25    -0.23   0.07   0.30
    13   1    -0.36   0.46   0.78     0.04   0.14   0.16    -0.14   0.06  -0.09
    14   1     0.03  -0.02  -0.05     0.31  -0.17  -0.01    -0.24  -0.04  -0.11
    15   1    -0.03   0.05  -0.06     0.12   0.00  -0.07    -0.23  -0.01  -0.09
    16   1     0.01   0.00  -0.04     0.18  -0.07  -0.03     0.14  -0.27   0.05
    17   1     0.04  -0.02  -0.05    -0.23  -0.24   0.21     0.05   0.06  -0.20
    18   1     0.03  -0.04  -0.01    -0.14   0.00  -0.07     0.10   0.12  -0.31
    19   1     0.03  -0.08   0.03    -0.21  -0.11   0.06    -0.02  -0.10  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    579.6519               688.2170               751.1844
 Red. masses --      4.0426                 7.8432                 7.2719
 Frc consts  --      0.8003                 2.1887                 2.4177
 IR Inten    --      3.9117                 7.7938                 9.0921
 RamAct Fr= 1--      8.8943                 3.1727                 4.3099
  Dep-P Fr= 1--      0.0678                 0.7499                 0.0638
  Dep-U Fr= 1--      0.1269                 0.8571                 0.1199
 Alpha2 Fr= 1--      0.1684                 0.0000                 0.0824
 Beta2  Fr= 1--      0.1882                 0.4532                 0.0861
 AlphaG Fr= 1--     -0.0148                -0.0003                -0.0254
 Gamma2 Fr= 1--     -0.0192                 0.5169                 0.9609
 Delta2 Fr= 1--     -0.0497                 0.0680                 0.3210
 Raman1 Fr= 1--      35.577                 12.691                 17.239
 ROA1   Fr= 1--      -3.438                 51.800                102.513
 CID1   Fr= 1--      -0.097                  4.082                  5.946
 Raman2 Fr= 1--       2.258                  5.439                  1.034
 ROA2   Fr= 1--      -0.064                 11.862                 20.493
 CID2   Fr= 1--      -0.028                  2.181                 19.828
 Raman3 Fr= 1--       4.516                 10.877                  2.067
 ROA3   Fr= 1--      -3.438                 51.800                102.513
 CID3   Fr= 1--      -0.761                  4.762                 49.593
 RC180  Fr= 1--      -0.746                  0.714                 -0.760
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.11   0.07   0.04     0.28  -0.13  -0.15     0.00   0.08   0.20
     2   6    -0.14   0.01   0.10    -0.23  -0.18   0.05    -0.08   0.41  -0.37
     3   8    -0.10  -0.02  -0.09    -0.24  -0.06  -0.19    -0.19  -0.15  -0.02
     4   6    -0.02   0.04   0.11    -0.13   0.13   0.14     0.08  -0.06   0.00
     5   6     0.19   0.01  -0.05     0.03   0.15   0.14    -0.01   0.01   0.02
     6   6     0.00  -0.02  -0.04     0.34  -0.02   0.09     0.19  -0.00   0.05
     7   8    -0.03  -0.06  -0.00    -0.01   0.06  -0.04     0.04  -0.20   0.05
     8   1    -0.16   0.09   0.10     0.03   0.25   0.11     0.44  -0.30   0.05
     9   6     0.25  -0.16   0.08    -0.07   0.08   0.01    -0.05   0.04  -0.01
    10   6     0.04   0.13  -0.14    -0.00  -0.00   0.05    -0.00   0.01  -0.01
    11   1    -0.06  -0.15  -0.12     0.33   0.01   0.11     0.22  -0.04   0.01
    12   1    -0.07  -0.02   0.14     0.20   0.05   0.10     0.31  -0.05   0.02
    13   1    -0.06   0.02  -0.02    -0.02   0.05   0.04    -0.00  -0.13   0.05
    14   1     0.06  -0.12   0.07    -0.10   0.05  -0.03    -0.11   0.04  -0.03
    15   1     0.25  -0.26   0.14    -0.15   0.10  -0.04    -0.09   0.02  -0.02
    16   1     0.30  -0.28   0.15     0.00  -0.02   0.02    -0.01  -0.02   0.01
    17   1    -0.11   0.01   0.05    -0.01  -0.08  -0.09     0.04   0.05  -0.04
    18   1    -0.04   0.27  -0.22     0.04   0.06  -0.18     0.01  -0.02   0.02
    19   1    -0.03   0.26  -0.24    -0.06  -0.26   0.18     0.02  -0.01   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    823.7417               896.1400               921.0452
 Red. masses --      3.1326                 4.6541                 2.3121
 Frc consts  --      1.2524                 2.2021                 1.1556
 IR Inten    --      5.7539                11.0102                14.4445
 RamAct Fr= 1--     11.4164                 4.8481                 3.1940
  Dep-P Fr= 1--      0.0471                 0.1489                 0.5758
  Dep-U Fr= 1--      0.0900                 0.2593                 0.7308
 Alpha2 Fr= 1--      0.2271                 0.0751                 0.0105
 Beta2  Fr= 1--      0.1713                 0.2095                 0.3890
 AlphaG Fr= 1--      0.1399                 0.0531                -0.0065
 Gamma2 Fr= 1--      0.0671                -1.0417                 0.0842
 Delta2 Fr= 1--     -0.0180                -0.4806                -0.4423
 Raman1 Fr= 1--      45.666                 19.392                 12.776
 ROA1   Fr= 1--       5.862               -115.377                 -6.073
 CID1   Fr= 1--       0.128                 -5.950                 -0.475
 Raman2 Fr= 1--       2.055                  2.514                  4.668
 ROA2   Fr= 1--       1.753                -21.155                  5.559
 CID2   Fr= 1--       0.853                 -8.415                  1.191
 Raman3 Fr= 1--       4.110                  5.028                  9.336
 ROA3   Fr= 1--       5.862               -115.377                 -6.073
 CID3   Fr= 1--       1.426                -22.948                 -0.650
 RC180  Fr= 1--      -0.820                 -0.481                  0.462
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.07  -0.01  -0.02    -0.02   0.19   0.09     0.00  -0.04  -0.05
     2   6     0.04   0.01  -0.07    -0.12  -0.21   0.13     0.00   0.03  -0.03
     3   8     0.02  -0.03   0.00    -0.10   0.03  -0.07    -0.01   0.00   0.01
     4   6    -0.19  -0.05  -0.14     0.26  -0.14  -0.20     0.09   0.08   0.20
     5   6    -0.06  -0.04   0.02    -0.01  -0.07  -0.04    -0.07  -0.12   0.00
     6   6    -0.02   0.08   0.27     0.05   0.02   0.16    -0.02  -0.06   0.05
     7   8     0.01  -0.00   0.01    -0.02   0.06   0.01     0.02   0.02  -0.03
     8   1    -0.34  -0.09  -0.13     0.49  -0.24  -0.20     0.26   0.16   0.19
     9   6     0.07  -0.07   0.02    -0.05   0.00  -0.04    -0.05  -0.06  -0.02
    10   6     0.02   0.11  -0.11     0.00  -0.00  -0.03    -0.00   0.05  -0.13
    11   1    -0.06   0.32   0.43     0.06   0.19   0.26    -0.04   0.18   0.20
    12   1    -0.06   0.14   0.04     0.27  -0.03  -0.09    -0.02  -0.02  -0.22
    13   1     0.10  -0.28   0.20    -0.08   0.23  -0.11    -0.05   0.24  -0.16
    14   1     0.18  -0.05   0.09    -0.06   0.09   0.04     0.22  -0.00   0.12
    15   1     0.20  -0.07   0.08     0.11  -0.05   0.07     0.23   0.01   0.07
    16   1    -0.04   0.07   0.01    -0.17   0.13  -0.01    -0.33   0.32  -0.08
    17   1     0.08   0.14  -0.23     0.00   0.01   0.02     0.10   0.20  -0.11
    18   1     0.07   0.08  -0.16    -0.00  -0.03   0.04    -0.01  -0.08   0.18
    19   1     0.04   0.02  -0.06     0.04   0.08  -0.07     0.15   0.23  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    946.4418               967.7559               993.1853
 Red. masses --      1.8478                 1.3905                 1.5088
 Frc consts  --      0.9752                 0.7673                 0.8769
 IR Inten    --      5.9654                 1.8178                 8.6242
 RamAct Fr= 1--      3.5062                 2.0982                 1.1177
  Dep-P Fr= 1--      0.7481                 0.7478                 0.3844
  Dep-U Fr= 1--      0.8559                 0.8557                 0.5554
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0087
 Beta2  Fr= 1--      0.5002                 0.2992                 0.1035
 AlphaG Fr= 1--      0.0017                 0.0003                -0.0057
 Gamma2 Fr= 1--      0.1832                 0.1011                -0.1486
 Delta2 Fr= 1--      0.8189                 0.0876                -0.0778
 Raman1 Fr= 1--      14.025                  8.393                  4.471
 ROA1   Fr= 1--      43.794                 12.505                -16.750
 CID1   Fr= 1--       3.123                  1.490                 -3.747
 Raman2 Fr= 1--       6.002                  3.591                  1.241
 ROA2   Fr= 1--      -2.154                  1.724                 -2.944
 CID2   Fr= 1--      -0.359                  0.480                 -2.371
 Raman3 Fr= 1--      12.004                  7.182                  2.483
 ROA3   Fr= 1--      43.794                 12.505                -16.750
 CID3   Fr= 1--       3.648                  1.741                 -6.746
 RC180  Fr= 1--       0.712                  0.711                  0.111
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.03  -0.02    -0.00  -0.00   0.00     0.04  -0.00   0.03
     2   6     0.01   0.00  -0.03    -0.00   0.01   0.00    -0.00  -0.04  -0.02
     3   8    -0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01
     4   6    -0.01   0.03   0.04    -0.01   0.01  -0.02    -0.01  -0.05   0.00
     5   6     0.07   0.00  -0.12     0.07  -0.05   0.02    -0.08   0.02   0.02
     6   6     0.02   0.12   0.10    -0.00   0.02   0.01     0.01   0.11  -0.03
     7   8     0.00  -0.01  -0.00    -0.00  -0.02   0.01     0.00   0.04  -0.02
     8   1    -0.07   0.02   0.04    -0.07   0.01  -0.02     0.15  -0.04  -0.00
     9   6    -0.00   0.01  -0.10    -0.11   0.01   0.02     0.02  -0.04   0.09
    10   6    -0.01  -0.12   0.04     0.12  -0.02  -0.02    -0.04  -0.03  -0.07
    11   1    -0.04  -0.14  -0.05    -0.03  -0.03  -0.01     0.01  -0.30  -0.28
    12   1    -0.18   0.16   0.45    -0.03   0.02   0.08     0.03   0.03   0.42
    13   1    -0.01   0.02  -0.03     0.00  -0.04   0.02     0.02  -0.03   0.04
    14   1    -0.30   0.24   0.04     0.26  -0.10   0.02     0.33  -0.23  -0.00
    15   1     0.33  -0.24   0.21    -0.13   0.25  -0.14    -0.17   0.18  -0.14
    16   1    -0.17   0.09   0.11    -0.16   0.20  -0.18     0.10  -0.03  -0.10
    17   1    -0.06  -0.09   0.25    -0.25  -0.33   0.40     0.09   0.18   0.02
    18   1    -0.11  -0.11   0.27    -0.10   0.34  -0.24    -0.08  -0.17   0.34
    19   1     0.06   0.19  -0.11    -0.13   0.25  -0.27     0.16   0.26  -0.16
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1033.8928              1038.1729              1087.4922
 Red. masses --      1.7100                 7.3739                 3.7495
 Frc consts  --      1.0770                 4.6826                 2.6126
 IR Inten    --     24.7673                91.4600                80.3640
 RamAct Fr= 1--      2.2933                 1.0824                 1.6229
  Dep-P Fr= 1--      0.6862                 0.7110                 0.5596
  Dep-U Fr= 1--      0.8139                 0.8311                 0.7176
 Alpha2 Fr= 1--      0.0026                 0.0007                 0.0059
 Beta2  Fr= 1--      0.3111                 0.1499                 0.1941
 AlphaG Fr= 1--     -0.0064                 0.0071                 0.0174
 Gamma2 Fr= 1--     -1.1248                 0.1904                 0.5092
 Delta2 Fr= 1--     -0.3773                -0.1901                 0.6421
 Raman1 Fr= 1--       9.173                  4.330                  6.492
 ROA1   Fr= 1--    -120.060                 12.193                 69.430
 CID1   Fr= 1--     -13.088                  2.816                 10.695
 Raman2 Fr= 1--       3.733                  1.799                  2.329
 ROA2   Fr= 1--     -23.978                  6.089                  7.085
 CID2   Fr= 1--      -6.423                  3.385                  3.042
 Raman3 Fr= 1--       7.466                  3.598                  4.658
 ROA3   Fr= 1--    -120.060                 12.193                 69.430
 CID3   Fr= 1--     -16.080                  3.389                 14.904
 RC180  Fr= 1--       0.628                  0.662                  0.435
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.07  -0.00   0.01     0.41  -0.00   0.13    -0.07  -0.03  -0.08
     2   6    -0.02   0.04   0.01    -0.10   0.05   0.07    -0.00   0.01   0.07
     3   8    -0.02  -0.02  -0.01    -0.07  -0.05  -0.08     0.02   0.01   0.00
     4   6    -0.00  -0.07   0.05     0.11   0.16  -0.10     0.04   0.29  -0.20
     5   6     0.05  -0.04  -0.00    -0.03   0.03  -0.05    -0.01   0.01  -0.01
     6   6    -0.09  -0.05   0.04    -0.42   0.07  -0.11     0.08  -0.05   0.06
     7   8     0.00   0.05  -0.04     0.00  -0.13   0.09     0.00  -0.18   0.14
     8   1    -0.11  -0.03   0.04     0.04   0.09  -0.07    -0.09   0.30  -0.18
     9   6     0.02   0.12   0.01     0.02  -0.09  -0.03     0.02   0.03   0.07
    10   6     0.01  -0.06  -0.06    -0.01  -0.00   0.06    -0.06  -0.08  -0.07
    11   1    -0.03   0.20   0.20    -0.15  -0.01  -0.15     0.05   0.10   0.15
    12   1    -0.08  -0.01  -0.22    -0.36   0.04   0.00    -0.01   0.02  -0.15
    13   1     0.03  -0.02   0.03    -0.10   0.18  -0.14    -0.07   0.05  -0.08
    14   1    -0.34   0.03  -0.18     0.14   0.01   0.10     0.04  -0.13  -0.08
    15   1    -0.34  -0.00  -0.08     0.28  -0.08   0.08    -0.27   0.13  -0.12
    16   1     0.34  -0.34   0.10    -0.18   0.17  -0.03     0.20  -0.12  -0.05
    17   1    -0.01   0.03   0.18    -0.02  -0.06  -0.05     0.07   0.16   0.07
    18   1    -0.09  -0.07   0.23     0.02   0.03  -0.11    -0.11  -0.25   0.40
    19   1     0.11   0.31  -0.24    -0.09  -0.16   0.12     0.17   0.24  -0.16
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1165.1679              1193.1153              1211.5288
 Red. masses --      1.8237                 2.0792                 1.4269
 Frc consts  --      1.4587                 1.7438                 1.2340
 IR Inten    --     79.2410                65.0355                 5.0833
 RamAct Fr= 1--      3.9104                 3.3320                 2.4761
  Dep-P Fr= 1--      0.6906                 0.7448                 0.7012
  Dep-U Fr= 1--      0.8170                 0.8537                 0.8243
 Alpha2 Fr= 1--      0.0041                 0.0003                 0.0021
 Beta2  Fr= 1--      0.5324                 0.4741                 0.3402
 AlphaG Fr= 1--     -0.0097                -0.0059                -0.0067
 Gamma2 Fr= 1--     -0.4862                -1.2465                 1.6781
 Delta2 Fr= 1--      0.2544                -1.1648                 1.3353
 Raman1 Fr= 1--      15.642                 13.328                  9.904
 ROA1   Fr= 1--     -38.531               -156.933                203.829
 CID1   Fr= 1--      -2.463                -11.775                 20.580
 Raman2 Fr= 1--       6.389                  5.689                  4.082
 ROA2   Fr= 1--     -13.703                -20.597                 29.592
 CID2   Fr= 1--      -2.145                 -3.620                  7.249
 Raman3 Fr= 1--      12.779                 11.379                  8.164
 ROA3   Fr= 1--     -38.531               -156.933                203.829
 CID3   Fr= 1--      -3.015                -13.792                 24.966
 RC180  Fr= 1--       0.634                  0.707                  0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.05   0.06    -0.00  -0.05  -0.04    -0.00   0.05  -0.02
     2   6     0.02  -0.13  -0.09    -0.04   0.14   0.16    -0.00   0.02   0.01
     3   8     0.02   0.01   0.02     0.02  -0.02  -0.02     0.02  -0.00   0.00
     4   6    -0.08   0.09   0.00    -0.01  -0.04  -0.07    -0.03  -0.03   0.00
     5   6    -0.02   0.03   0.11     0.05  -0.10   0.10    -0.00   0.12  -0.03
     6   6    -0.04  -0.02  -0.04     0.04   0.01  -0.06    -0.01  -0.10   0.03
     7   8    -0.02  -0.02   0.00    -0.02   0.01  -0.01    -0.01   0.01  -0.02
     8   1     0.46   0.26  -0.03     0.58   0.07  -0.09     0.24  -0.10   0.01
     9   6     0.03   0.00  -0.07    -0.02   0.02  -0.04    -0.00  -0.05   0.01
    10   6     0.03  -0.03  -0.04    -0.02   0.04  -0.03    -0.00  -0.04   0.00
    11   1     0.02  -0.02  -0.05    -0.26   0.00  -0.05     0.61  -0.02   0.04
    12   1     0.29  -0.15  -0.14    -0.35   0.14   0.23    -0.60   0.19  -0.17
    13   1     0.10  -0.40   0.31     0.10  -0.36   0.28     0.03  -0.11   0.08
    14   1    -0.18   0.16   0.02    -0.13   0.10  -0.00     0.15  -0.04   0.07
    15   1     0.17  -0.17   0.11     0.03  -0.06   0.04     0.10   0.04   0.01
    16   1    -0.05  -0.01   0.13    -0.09   0.05   0.05    -0.06   0.07  -0.05
    17   1    -0.03  -0.02   0.15     0.05   0.09  -0.11    -0.01  -0.01   0.10
    18   1    -0.08   0.07   0.04     0.04  -0.04  -0.02    -0.05  -0.02   0.09
    19   1     0.03   0.18  -0.16     0.05   0.00   0.01     0.01   0.05  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1245.9290              1283.4839              1294.1981
 Red. masses --      2.1819                 2.1176                 1.6661
 Frc consts  --      1.9956                 2.0553                 1.6442
 IR Inten    --     32.7523                15.6401                 4.9932
 RamAct Fr= 1--      2.2579                 3.0225                 4.4609
  Dep-P Fr= 1--      0.6274                 0.6721                 0.7443
  Dep-U Fr= 1--      0.7711                 0.8039                 0.8534
 Alpha2 Fr= 1--      0.0050                 0.0042                 0.0004
 Beta2  Fr= 1--      0.2902                 0.4050                 0.6345
 AlphaG Fr= 1--     -0.0005                 0.0206                 0.0033
 Gamma2 Fr= 1--      0.4851                -0.3378                -1.1568
 Delta2 Fr= 1--      0.1721                -0.1705                -0.2616
 Raman1 Fr= 1--       9.032                 12.090                 17.844
 ROA1   Fr= 1--      52.080                -37.881               -119.426
 CID1   Fr= 1--       5.766                 -3.133                 -6.693
 Raman2 Fr= 1--       3.482                  4.860                  7.614
 ROA2   Fr= 1--      10.266                 -6.742                -25.671
 CID2   Fr= 1--       2.948                 -1.387                 -3.372
 Raman3 Fr= 1--       6.964                  9.719                 15.228
 ROA3   Fr= 1--      52.080                -37.881               -119.426
 CID3   Fr= 1--       7.479                 -3.897                 -7.843
 RC180  Fr= 1--       0.542                  0.608                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.04   0.04    -0.00  -0.03  -0.01    -0.00   0.03  -0.00
     2   6     0.02  -0.06  -0.07    -0.01   0.06   0.05     0.01  -0.02  -0.03
     3   8    -0.03   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.00   0.00
     4   6     0.04   0.00   0.00    -0.01  -0.07  -0.05     0.03  -0.02  -0.03
     5   6     0.25  -0.03   0.04     0.03   0.19   0.17    -0.06  -0.11   0.17
     6   6    -0.02  -0.02  -0.02     0.01  -0.04  -0.05     0.01   0.01  -0.03
     7   8    -0.03   0.01  -0.01     0.02   0.00  -0.00     0.02  -0.00   0.03
     8   1    -0.45   0.23  -0.04    -0.35  -0.32  -0.01    -0.41   0.18  -0.07
     9   6    -0.09  -0.01   0.00    -0.01  -0.06  -0.06     0.02   0.03  -0.06
    10   6    -0.10   0.02  -0.02    -0.01  -0.06  -0.06     0.02   0.03  -0.03
    11   1     0.06   0.02   0.00    -0.33   0.13   0.07     0.49  -0.24  -0.21
    12   1    -0.12   0.03   0.01     0.23  -0.12  -0.12    -0.32   0.13   0.13
    13   1     0.08  -0.33   0.25    -0.06   0.23  -0.18    -0.07   0.27  -0.20
    14   1     0.08   0.01   0.06     0.07   0.16   0.18    -0.16   0.12  -0.02
    15   1    -0.03   0.19  -0.09     0.26  -0.03   0.06    -0.01  -0.17   0.06
    16   1    -0.19   0.20  -0.14    -0.20   0.11   0.06    -0.04  -0.04   0.18
    17   1     0.12   0.24  -0.19     0.05   0.13   0.18     0.02   0.04  -0.03
    18   1     0.08  -0.27   0.15    -0.13  -0.04   0.21    -0.01   0.08  -0.07
    19   1     0.20  -0.10   0.17     0.13   0.17  -0.13    -0.00   0.06  -0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1332.5114              1384.7115              1406.6120
 Red. masses --      1.6185                 1.3790                 1.3765
 Frc consts  --      1.6932                 1.5579                 1.6046
 IR Inten    --     22.0033                10.5004                11.7436
 RamAct Fr= 1--      2.5205                 0.5438                 1.7678
  Dep-P Fr= 1--      0.6905                 0.7388                 0.6449
  Dep-U Fr= 1--      0.8169                 0.8498                 0.7841
 Alpha2 Fr= 1--      0.0026                 0.0001                 0.0033
 Beta2  Fr= 1--      0.3432                 0.0770                 0.2310
 AlphaG Fr= 1--      0.0006                 0.0024                 0.0024
 Gamma2 Fr= 1--     -2.0053                -0.1660                 0.9920
 Delta2 Fr= 1--     -0.4957                -0.5068                 0.5517
 Raman1 Fr= 1--      10.082                  2.175                  7.071
 ROA1   Fr= 1--    -208.374                -32.159                112.891
 CID1   Fr= 1--     -20.668                -14.785                 15.965
 Raman2 Fr= 1--       4.118                  0.924                  2.772
 ROA2   Fr= 1--     -44.163                  0.070                 19.395
 CID2   Fr= 1--     -10.724                  0.075                  6.996
 Raman3 Fr= 1--       8.236                  1.849                  5.545
 ROA3   Fr= 1--    -208.374                -32.159                112.891
 CID3   Fr= 1--     -25.300                -17.397                 20.360
 RC180  Fr= 1--       0.634                  0.700                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.03  -0.03     0.02   0.04   0.05     0.01   0.01   0.02
     2   6    -0.01   0.06   0.03     0.02  -0.05  -0.06     0.00  -0.03  -0.01
     3   8    -0.02  -0.01  -0.01    -0.01   0.00   0.00    -0.01   0.00   0.00
     4   6     0.14  -0.09   0.01    -0.06  -0.06  -0.00     0.08   0.07   0.01
     5   6    -0.09   0.07  -0.03    -0.01   0.02  -0.03    -0.07  -0.01   0.01
     6   6     0.00   0.01   0.02     0.07  -0.06  -0.06     0.04  -0.02  -0.03
     7   8    -0.04   0.01   0.01     0.02  -0.00   0.03    -0.02   0.00  -0.03
     8   1    -0.31   0.75  -0.15     0.11   0.51  -0.12    -0.24  -0.37   0.10
     9   6     0.01  -0.02  -0.00     0.00  -0.00   0.01     0.01   0.01  -0.01
    10   6     0.03  -0.02   0.01     0.01   0.00  -0.01     0.05   0.06  -0.07
    11   1     0.04  -0.04  -0.01    -0.46   0.29   0.20    -0.18   0.10   0.06
    12   1     0.16  -0.05  -0.08    -0.41   0.13   0.20    -0.22   0.08   0.12
    13   1     0.08  -0.34   0.26    -0.06   0.26  -0.19     0.06  -0.26   0.19
    14   1     0.07  -0.02   0.02     0.02  -0.00   0.01     0.04  -0.03  -0.03
    15   1     0.08  -0.04   0.04    -0.01   0.03  -0.01    -0.01  -0.09   0.05
    16   1     0.01  -0.03   0.01     0.02  -0.02   0.00     0.02  -0.05   0.07
    17   1    -0.03  -0.06   0.08    -0.03  -0.02   0.07    -0.24  -0.20   0.27
    18   1    -0.05   0.07   0.01    -0.02  -0.00   0.06    -0.04  -0.09   0.40
    19   1    -0.07   0.00  -0.04    -0.01  -0.06   0.02    -0.16  -0.37   0.13
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1409.7829              1438.3100              1488.4390
 Red. masses --      1.3100                 1.2851                 1.0477
 Frc consts  --      1.5340                 1.5664                 1.3676
 IR Inten    --      2.9727                 6.2536                 1.8055
 RamAct Fr= 1--      0.7000                 0.8007                 4.3776
  Dep-P Fr= 1--      0.3988                 0.4951                 0.7334
  Dep-U Fr= 1--      0.5702                 0.6623                 0.8462
 Alpha2 Fr= 1--      0.0052                 0.0040                 0.0012
 Beta2  Fr= 1--      0.0665                 0.0884                 0.6174
 AlphaG Fr= 1--      0.0016                -0.0038                -0.0059
 Gamma2 Fr= 1--      0.4116                 0.4458                 0.5906
 Delta2 Fr= 1--      0.2124                 0.3016                 0.2857
 Raman1 Fr= 1--       2.800                  3.203                 17.510
 ROA1   Fr= 1--      46.305                 52.451                 65.844
 CID1   Fr= 1--      16.537                 16.377                  3.760
 Raman2 Fr= 1--       0.798                  1.061                  7.409
 ROA2   Fr= 1--       8.179                  8.287                 11.889
 CID2   Fr= 1--      10.245                  7.814                  1.605
 Raman3 Fr= 1--       1.597                  2.121                 14.817
 ROA3   Fr= 1--      46.305                 52.451                 65.844
 CID3   Fr= 1--      29.003                 24.726                  4.444
 RC180  Fr= 1--       0.140                  0.325                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.01  -0.01     0.01   0.01   0.02     0.00   0.00   0.00
     2   6    -0.00   0.02   0.01     0.00  -0.03  -0.02     0.00  -0.00  -0.00
     3   8     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.05  -0.03  -0.01     0.05   0.05   0.01    -0.00   0.00   0.00
     5   6     0.05  -0.01   0.00    -0.04  -0.00   0.00     0.00   0.01  -0.01
     6   6    -0.03   0.02   0.02     0.04  -0.02  -0.02     0.01   0.00   0.01
     7   8     0.01  -0.00   0.01    -0.02   0.00  -0.02    -0.00  -0.00  -0.00
     8   1     0.13   0.15  -0.05    -0.17  -0.21   0.07     0.01   0.00  -0.00
     9   6    -0.11   0.06  -0.03    -0.06   0.04  -0.02     0.01  -0.01  -0.04
    10   6    -0.00   0.04  -0.04    -0.01  -0.06   0.07    -0.01   0.03   0.02
    11   1     0.13  -0.08  -0.06    -0.22   0.07   0.05    -0.06  -0.05  -0.02
    12   1     0.14  -0.05  -0.07    -0.22   0.08   0.04    -0.02   0.02  -0.09
    13   1    -0.03   0.14  -0.10     0.04  -0.17   0.12     0.00  -0.01   0.01
    14   1     0.47  -0.11   0.01     0.32  -0.09  -0.02     0.27   0.22   0.28
    15   1     0.34  -0.13   0.28     0.21  -0.13   0.20    -0.29   0.02  -0.17
    16   1     0.26  -0.41   0.05     0.18  -0.28   0.06    -0.16  -0.11   0.49
    17   1    -0.14  -0.09   0.15     0.22   0.15  -0.27    -0.18  -0.32  -0.19
    18   1     0.05  -0.14   0.17    -0.03   0.16  -0.32     0.27  -0.30  -0.01
    19   1     0.04  -0.19   0.12     0.01   0.34  -0.17     0.02   0.21  -0.09
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1491.3312              1507.8031              1513.7035
 Red. masses --      1.0472                 1.0626                 1.0637
 Frc consts  --      1.3722                 1.4233                 1.4359
 IR Inten    --      2.8447                 7.5161                14.2884
 RamAct Fr= 1--      3.8368                 8.7097                 0.8758
  Dep-P Fr= 1--      0.7161                 0.7463                 0.6790
  Dep-U Fr= 1--      0.8346                 0.8547                 0.8088
 Alpha2 Fr= 1--      0.0022                 0.0005                 0.0011
 Beta2  Fr= 1--      0.5337                 1.2408                 0.1181
 AlphaG Fr= 1--      0.0059                -0.0009                 0.0018
 Gamma2 Fr= 1--      0.1619                -0.9799                 0.2028
 Delta2 Fr= 1--      0.0201                -0.8002                 0.2854
 Raman1 Fr= 1--      15.347                 34.839                  3.503
 ROA1   Fr= 1--      16.185               -119.682                 28.601
 CID1   Fr= 1--       1.055                 -3.435                  8.164
 Raman2 Fr= 1--       6.404                 14.889                  1.417
 ROA2   Fr= 1--       3.724                -17.116                  2.584
 CID2   Fr= 1--       0.582                 -1.150                  1.824
 Raman3 Fr= 1--      12.808                 29.778                  2.834
 ROA3   Fr= 1--      16.185               -119.682                 28.601
 CID3   Fr= 1--       1.264                 -4.019                 10.093
 RC180  Fr= 1--       0.669                  0.709                  0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00     0.01   0.00  -0.00     0.01   0.02   0.01
     5   6    -0.01   0.01  -0.01    -0.04   0.01   0.03    -0.03  -0.03  -0.03
     6   6     0.01   0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.01
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   1     0.00  -0.00   0.00    -0.06  -0.02   0.01    -0.00  -0.03   0.02
     9   6     0.02   0.03  -0.00    -0.00  -0.01   0.02    -0.01  -0.03  -0.02
    10   6    -0.03  -0.01  -0.02    -0.02   0.03   0.00    -0.02  -0.01  -0.02
    11   1    -0.07  -0.04  -0.02    -0.09  -0.07  -0.04     0.07   0.07   0.04
    12   1    -0.02   0.02  -0.07    -0.07   0.04  -0.08     0.00  -0.02   0.12
    13   1     0.00  -0.01   0.01     0.00  -0.01   0.01     0.01  -0.03   0.03
    14   1     0.17  -0.25  -0.21    -0.27  -0.02  -0.08    -0.00   0.36   0.35
    15   1    -0.28  -0.39   0.11     0.28   0.14   0.05     0.07   0.37  -0.21
    16   1    -0.21   0.18   0.19     0.17   0.01  -0.36     0.13  -0.26   0.13
    17   1    -0.03   0.15   0.37    -0.26  -0.29   0.08     0.05   0.24   0.36
    18   1     0.07   0.02  -0.28     0.37  -0.33  -0.22    -0.06   0.16  -0.23
    19   1     0.45  -0.04   0.19     0.35   0.22   0.02     0.32  -0.14   0.19
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1520.9857              1844.7831              3032.7339
 Red. masses --      1.0873                12.5553                 1.0354
 Frc consts  --      1.4820                25.1749                 5.6107
 IR Inten    --      2.6033               401.2521                12.8896
 RamAct Fr= 1--      5.2124                20.2589                43.1854
  Dep-P Fr= 1--      0.6579                 0.3143                 0.0195
  Dep-U Fr= 1--      0.7936                 0.4783                 0.0383
 Alpha2 Fr= 1--      0.0086                 0.1990                 0.9168
 Beta2  Fr= 1--      0.6895                 1.6150                 0.2754
 AlphaG Fr= 1--     -0.0229                 0.1222                 0.0422
 Gamma2 Fr= 1--     -0.5198                 0.7729                 1.4285
 Delta2 Fr= 1--      0.0552                 0.8278                 1.2233
 Raman1 Fr= 1--      20.850                 81.036                172.742
 ROA1   Fr= 1--     -48.130                100.685                176.282
 CID1   Fr= 1--      -2.308                  1.242                  1.020
 Raman2 Fr= 1--       8.274                 19.381                  3.305
 ROA2   Fr= 1--     -12.916                 11.927                 24.497
 CID2   Fr= 1--      -1.561                  0.615                  7.413
 Raman3 Fr= 1--      16.547                 38.761                  6.610
 ROA3   Fr= 1--     -48.130                100.685                176.282
 CID3   Fr= 1--      -2.909                  2.598                 26.671
 RC180  Fr= 1--       0.587                 -0.043                 -0.923
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.01  -0.01    -0.03   0.02   0.01    -0.00  -0.00   0.00
     2   6    -0.01   0.01   0.01     0.79   0.02   0.23     0.00   0.00   0.00
     3   8     0.01  -0.00   0.00    -0.50  -0.03  -0.15    -0.00  -0.00  -0.00
     4   6     0.01   0.00  -0.00    -0.06   0.02  -0.01    -0.00   0.00   0.01
     5   6    -0.01   0.01   0.00    -0.02  -0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.04  -0.03  -0.06    -0.04  -0.01  -0.02    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.01  -0.02   0.00     0.15  -0.09   0.04    -0.00  -0.02  -0.09
     9   6     0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.02   0.00  -0.00
    10   6    -0.01   0.00   0.01     0.00  -0.00  -0.00     0.01   0.03  -0.03
    11   1     0.38   0.50   0.26     0.09   0.03  -0.02     0.00  -0.01   0.01
    12   1     0.19  -0.21   0.60    -0.00  -0.06  -0.00     0.01   0.01   0.00
    13   1     0.00  -0.01   0.01     0.01  -0.06   0.01     0.00  -0.00  -0.00
    14   1     0.04  -0.07  -0.06    -0.00   0.01   0.00    -0.04  -0.09   0.09
    15   1    -0.02  -0.09   0.05     0.01  -0.00   0.01     0.07  -0.10  -0.16
    16   1    -0.02   0.03   0.01    -0.00  -0.00   0.01     0.18   0.15   0.09
    17   1    -0.06  -0.11  -0.04    -0.01   0.00   0.03     0.46  -0.32   0.14
    18   1     0.11  -0.11  -0.06    -0.00   0.01  -0.01    -0.38  -0.31  -0.17
    19   1     0.06   0.11  -0.03     0.02   0.01   0.00    -0.16   0.26   0.42
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3037.9689              3048.9822              3061.5810
 Red. masses --      1.0393                 1.0840                 1.0601
 Frc consts  --      5.6513                 5.9372                 5.8545
 IR Inten    --     21.1158                33.0752                27.6090
 RamAct Fr= 1--    209.0834               105.3973               186.6624
  Dep-P Fr= 1--      0.0215                 0.1151                 0.0512
  Dep-U Fr= 1--      0.0420                 0.2064                 0.0974
 Alpha2 Fr= 1--      4.4184                 1.7780                 3.6765
 Beta2  Fr= 1--      1.4653                 3.6265                 3.0314
 AlphaG Fr= 1--      0.4193                 0.0537                -0.6782
 Gamma2 Fr= 1--     -4.4655                 1.1577                -4.2242
 Delta2 Fr= 1--     -2.9045                 0.4861                 3.8415
 Raman1 Fr= 1--     836.334                421.589                746.649
 ROA1   Fr= 1--    -521.634                126.691               -282.598
 CID1   Fr= 1--      -0.624                  0.301                 -0.378
 Raman2 Fr= 1--      17.584                 43.518                 36.377
 ROA2   Fr= 1--     -83.936                 23.895               -132.114
 CID2   Fr= 1--      -4.773                  0.549                 -3.632
 Raman3 Fr= 1--      35.168                 87.036                 72.754
 ROA3   Fr= 1--    -521.634                126.691               -282.598
 CID3   Fr= 1--     -14.833                  1.456                 -3.884
 RC180  Fr= 1--      -0.916                 -0.587                 -0.805
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.01    -0.00  -0.02  -0.08     0.00   0.00   0.01
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.01    -0.00  -0.00  -0.01    -0.02   0.00  -0.07
     7   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   1    -0.00   0.03   0.14     0.01   0.19   0.96    -0.00  -0.02  -0.08
     9   6    -0.05   0.01  -0.01     0.00  -0.00   0.00    -0.01   0.00   0.00
    10   6    -0.00  -0.01   0.01     0.00   0.01  -0.00     0.00  -0.00   0.00
    11   1    -0.00   0.04  -0.06     0.00  -0.04   0.06     0.04  -0.47   0.72
    12   1    -0.02  -0.04  -0.00     0.03   0.06   0.01     0.20   0.45   0.05
    13   1    -0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    14   1    -0.09  -0.24   0.25     0.01   0.03  -0.03    -0.00  -0.01   0.01
    15   1     0.18  -0.25  -0.42    -0.02   0.02   0.04     0.03  -0.03  -0.05
    16   1     0.48   0.41   0.24    -0.05  -0.04  -0.02     0.04   0.03   0.02
    17   1    -0.17   0.12  -0.05     0.07  -0.05   0.02    -0.04   0.03  -0.01
    18   1     0.12   0.10   0.05    -0.08  -0.07  -0.03     0.01   0.01   0.00
    19   1     0.06  -0.09  -0.14    -0.01   0.02   0.03     0.01  -0.01  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3092.8927              3096.7778              3102.7623
 Red. masses --      1.1008                 1.1017                 1.1023
 Frc consts  --      6.2040                 6.2251                 6.2523
 IR Inten    --     11.0639                22.5410                28.9349
 RamAct Fr= 1--     41.8506                54.6271                82.4614
  Dep-P Fr= 1--      0.7171                 0.6860                 0.7398
  Dep-U Fr= 1--      0.8352                 0.8138                 0.8504
 Alpha2 Fr= 1--      0.0238                 0.0614                 0.0144
 Beta2  Fr= 1--      5.8257                 7.4089                11.6877
 AlphaG Fr= 1--      0.0246                -0.0237                -0.0142
 Gamma2 Fr= 1--      7.5016                -0.4687                 2.4301
 Delta2 Fr= 1--      5.9134                -3.0720                 1.4551
 Raman1 Fr= 1--     167.402                218.508                329.846
 ROA1   Fr= 1--     909.386               -143.299                279.855
 CID1   Fr= 1--       5.432                 -0.656                  0.848
 Raman2 Fr= 1--      69.908                 88.907                140.252
 ROA2   Fr= 1--     132.732                 13.327                 46.682
 CID2   Fr= 1--       1.899                  0.150                  0.333
 Raman3 Fr= 1--     139.817                177.814                280.505
 ROA3   Fr= 1--     909.386               -143.299                279.855
 CID3   Fr= 1--       6.504                 -0.806                  0.998
 RC180  Fr= 1--       0.670                  0.628                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.01  -0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   1     0.00  -0.00  -0.02    -0.00   0.00   0.00     0.00   0.01   0.05
     9   6    -0.02  -0.06  -0.06     0.00   0.00   0.00    -0.00  -0.02  -0.01
    10   6    -0.00   0.02   0.02    -0.09   0.03  -0.00    -0.02  -0.06  -0.06
    11   1    -0.00  -0.00   0.00     0.00  -0.01   0.02     0.00  -0.04   0.07
    12   1     0.01   0.03   0.00     0.00   0.00   0.00    -0.04  -0.10  -0.01
    13   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.02   0.06  -0.09    -0.00  -0.01   0.01     0.01   0.02  -0.03
    15   1    -0.27   0.34   0.58     0.02  -0.03  -0.05    -0.07   0.09   0.15
    16   1     0.45   0.37   0.21    -0.02  -0.02  -0.01     0.12   0.10   0.06
    17   1     0.05  -0.03   0.02     0.61  -0.44   0.20    -0.02   0.00  -0.02
    18   1    -0.11  -0.09  -0.04     0.34   0.30   0.15     0.49   0.39   0.19
    19   1     0.07  -0.10  -0.17     0.11  -0.20  -0.33    -0.22   0.34   0.56
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3117.7164              3129.9267              3780.5682
 Red. masses --      1.1076                 1.0995                 1.0663
 Frc consts  --      6.3432                 6.3464                 8.9794
 IR Inten    --     18.3509                15.3012                47.1106
 RamAct Fr= 1--     79.1693                62.1436                84.2970
  Dep-P Fr= 1--      0.5750                 0.6837                 0.2044
  Dep-U Fr= 1--      0.7301                 0.8122                 0.3394
 Alpha2 Fr= 1--      0.2607                 0.0725                 1.1315
 Beta2  Fr= 1--      9.6340                 8.4117                 4.7683
 AlphaG Fr= 1--      0.1121                -0.0823                 0.2649
 Gamma2 Fr= 1--      4.7399               -12.2860                 2.6872
 Delta2 Fr= 1--      3.4493                -7.5589                -0.4549
 Raman1 Fr= 1--     316.677                248.574                337.188
 ROA1   Fr= 1--     565.411              -1421.336                243.413
 CID1   Fr= 1--       1.785                 -5.718                  0.722
 Raman2 Fr= 1--     115.608                100.941                 57.220
 ROA2   Fr= 1--      86.164               -234.392                 68.132
 CID2   Fr= 1--       0.745                 -2.322                  1.191
 Raman3 Fr= 1--     231.216                201.882                114.439
 ROA3   Fr= 1--     565.411              -1421.336                243.413
 CID3   Fr= 1--       2.445                 -7.040                  2.127
 RC180  Fr= 1--       0.460                  0.624                 -0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.03  -0.09   0.02     0.00   0.01  -0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.06  -0.03  -0.01
     8   1     0.00  -0.00  -0.01     0.00   0.00   0.01     0.00   0.00  -0.00
     9   6     0.00   0.01  -0.01     0.04   0.05  -0.07     0.00   0.00  -0.00
    10   6    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.02   0.24  -0.40     0.00  -0.04   0.07    -0.00   0.00  -0.00
    12   1     0.34   0.78   0.12    -0.04  -0.09  -0.01     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.89   0.43   0.17
    14   1    -0.03  -0.08   0.08    -0.21  -0.62   0.64     0.00  -0.00   0.00
    15   1    -0.02   0.02   0.03    -0.11   0.17   0.25    -0.00   0.00   0.00
    16   1    -0.01  -0.01  -0.01    -0.15  -0.12  -0.09     0.00   0.00   0.00
    17   1    -0.01   0.00  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.08   0.06   0.03    -0.01  -0.01  -0.00     0.00   0.00   0.00
    19   1    -0.03   0.04   0.07    -0.00  -0.00   0.00    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   130.06299 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   727.011211206.344911436.23905
           X            0.99953   0.02996  -0.00641
           Y           -0.03014   0.99909  -0.03012
           Z            0.00550   0.03030   0.99953
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11914     0.07180     0.06031
 Rotational constants (GHZ):           2.48241     1.49604     1.25657
 Zero-point vibrational energy     416296.8 (Joules/Mol)
                                   99.49733 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.85   264.02   301.63   314.28   360.06
          (Kelvin)            400.90   446.07   503.52   528.44   542.57
                              675.93   782.25   833.99   990.19  1080.79
                             1185.18  1289.35  1325.18  1361.72  1392.38
                             1428.97  1487.54  1493.70  1564.66  1676.42
                             1716.63  1743.12  1792.61  1846.65  1862.06
                             1917.19  1992.29  2023.80  2028.36  2069.41
                             2141.53  2145.69  2169.39  2177.88  2188.36
                             2654.23  4363.43  4370.96  4386.81  4404.93
                             4449.98  4455.57  4464.18  4485.70  4503.27
                             5439.39
 
 Zero-point correction=                           0.158559 (Hartree/Particle)
 Thermal correction to Energy=                    0.167578
 Thermal correction to Enthalpy=                  0.168522
 Thermal correction to Gibbs Free Energy=         0.125282
 Sum of electronic and zero-point Energies=           -460.395085
 Sum of electronic and thermal Energies=              -460.386067
 Sum of electronic and thermal Enthalpies=            -460.385123
 Sum of electronic and thermal Free Energies=         -460.428362
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  105.156             34.174             91.005
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.502
 Rotational               0.889              2.981             28.623
 Vibrational            103.379             28.212             21.880
 Vibration     1          0.600              1.963              3.895
 Vibration     2          0.631              1.862              2.292
 Vibration     3          0.642              1.826              2.047
 Vibration     4          0.646              1.813              1.972
 Vibration     5          0.663              1.762              1.729
 Vibration     6          0.679              1.713              1.542
 Vibration     7          0.699              1.655              1.362
 Vibration     8          0.727              1.575              1.166
 Vibration     9          0.740              1.540              1.091
 Vibration    10          0.748              1.519              1.051
 Vibration    11          0.827              1.317              0.738
 Vibration    12          0.899              1.154              0.557
 Vibration    13          0.936              1.075              0.486
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.236654D-57        -57.625885       -132.688505
 Total V=0       0.202381D+16         15.306170         35.243758
 Vib (Bot)       0.101033D-70        -70.995535       -163.473261
 Vib (Bot)    1  0.258005D+01          0.411627          0.947807
 Vib (Bot)    2  0.109320D+01          0.038701          0.089113
 Vib (Bot)    3  0.947532D+00         -0.023406         -0.053895
 Vib (Bot)    4  0.906135D+00         -0.042807         -0.098567
 Vib (Bot)    5  0.779809D+00         -0.108012         -0.248706
 Vib (Bot)    6  0.690488D+00         -0.160844         -0.370357
 Vib (Bot)    7  0.609891D+00         -0.214747         -0.494474
 Vib (Bot)    8  0.527213D+00         -0.278014         -0.640150
 Vib (Bot)    9  0.496605D+00         -0.303989         -0.699960
 Vib (Bot)   10  0.480422D+00         -0.318377         -0.733090
 Vib (Bot)   11  0.359103D+00         -0.444781         -1.024146
 Vib (Bot)   12  0.290389D+00         -0.537020         -1.236535
 Vib (Bot)   13  0.262977D+00         -0.580083         -1.335690
 Vib (V=0)       0.864012D+02          1.936520          4.459002
 Vib (V=0)    1  0.312805D+01          0.495273          1.140409
 Vib (V=0)    2  0.170212D+01          0.230991          0.531875
 Vib (V=0)    3  0.157136D+01          0.196276          0.451943
 Vib (V=0)    4  0.153493D+01          0.186089          0.428485
 Vib (V=0)    5  0.142634D+01          0.154222          0.355110
 Vib (V=0)    6  0.135251D+01          0.131141          0.301962
 Vib (V=0)    7  0.128865D+01          0.110135          0.253595
 Vib (V=0)    8  0.122660D+01          0.088704          0.204250
 Vib (V=0)    9  0.120471D+01          0.080883          0.186239
 Vib (V=0)   10  0.119340D+01          0.076787          0.176807
 Vib (V=0)   11  0.111559D+01          0.047506          0.109386
 Vib (V=0)   12  0.107821D+01          0.032703          0.075301
 Vib (V=0)   13  0.106494D+01          0.027325          0.062918
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.583021D+08          7.765685         17.881149
 Rotational      0.401759D+06          5.603965         12.903607
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                 333333333                                       1      1111111111111111 111                                   
     7                 111000000                                       8      5554444433222211 00099998  8 7 6   55  4333322221      
     8                 310996433                                       4      2109831083984196 83396429  2 5 8   84  7765175118   8  
     1                 083732983                                       5      1481880753436235 78438616  4 1 8   04  0770090804   0  
 
     X                 XXXXXXXXX                                       X      XXXXXXXXXXXXXXXX XXXXXXXX  X X X   XX  XXXXXXXXXX   X  
     X                       X                                         X                  X XX XX                     X              
                                                                       X                    XX XX                     X              
                                                                       X                     X XX                     X              
                                                                       X                        X                     X              
                                                                       X                                              X              
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000006397   -0.000008211   -0.000009308
      2        6           0.000012749    0.000009556    0.000007637
      3        8           0.000000733   -0.000001253    0.000001695
      4        6           0.000002007    0.000002439   -0.000002158
      5        6          -0.000007822   -0.000021516    0.000012119
      6        6          -0.000015533    0.000007155    0.000001297
      7        8          -0.000009814   -0.000002999   -0.000007863
      8        1          -0.000003633   -0.000000214   -0.000001295
      9        6          -0.000000410   -0.000005760    0.000000999
     10        6           0.000004665   -0.000002906    0.000007077
     11        1           0.000003889    0.000000172   -0.000002462
     12        1          -0.000000168   -0.000000853    0.000003972
     13        1           0.000000738   -0.000000030   -0.000000129
     14        1           0.000002706    0.000010061    0.000001354
     15        1          -0.000003097    0.000000945    0.000001028
     16        1           0.000000820   -0.000000660   -0.000000890
     17        1           0.000005043    0.000008163   -0.000010454
     18        1           0.000000758    0.000001185   -0.000001486
     19        1          -0.000000030    0.000004725   -0.000001134
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000021516 RMS     0.000006184
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.927351D+02  0.209585D+01  0.415115D+01
      2   0.209585D+01  0.786102D+02  0.120703D+01
      3   0.415115D+01  0.120703D+01  0.762311D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.342815D+01  0.978238D+01  0.449308D+01
      2   0.362859D+01  0.684398D+01 -0.280253D+02
      3  -0.104583D+02  0.301843D+02 -0.815069D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.359251D+02  0.459549D+01  0.150739D+02
      2   0.207824D+02 -0.112177D+01 -0.253909D+02
      3   0.151428D+02 -0.347372D+01  0.103170D+02
      4  -0.964262D+01 -0.631302D+02  0.657951D+01
      5   0.278798D+02  0.832807D+01 -0.683698D+02
      6  -0.375683D+01  0.857727D-01 -0.141275D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.357336D+01 -0.194546D+01 -0.111325D+01 -0.148080D+01  0.574728D+00
      2  -0.194546D+01  0.876209D-01  0.474952D+00  0.574728D+00 -0.376903D+01
      3  -0.111325D+01  0.474952D+00 -0.679853D+00  0.117461D+00 -0.117454D+01
                 6             7             8             9            10 
      1   0.117461D+00 -0.750795D+00 -0.243355D+00  0.251869D+00 -0.646634D+01
      2  -0.117454D+01 -0.243355D+00 -0.171582D+01 -0.139642D+01 -0.188723D+01
      3  -0.750203D+00  0.251869D+00 -0.139642D+01 -0.291120D+01 -0.343328D+01
                11            12            13            14            15 
      1  -0.188723D+01 -0.343328D+01 -0.122254D+01  0.677065D+00  0.824162D+00
      2  -0.445139D+00  0.702344D+00  0.677065D+00 -0.164471D+00  0.124286D+00
      3   0.702344D+00 -0.100813D+00  0.824162D+00  0.124286D+00  0.458552D+00
                16            17            18            19            20 
      1  -0.187586D+01  0.612833D+00  0.113783D+00  0.168382D+02  0.824915D+00
      2   0.612833D+00  0.504013D+00  0.690453D+00  0.824915D+00  0.267066D+01
      3   0.113783D+00  0.690453D+00  0.139926D+01  0.398145D+01  0.168366D+00
                21            22            23            24            25 
      1   0.398145D+01  0.397910D-01  0.327646D+01 -0.292707D+00  0.264238D+01
      2   0.168366D+00  0.327646D+01  0.900173D+00  0.992061D+00  0.203567D-01
      3   0.267652D+01 -0.292707D+00  0.992061D+00  0.693382D-01  0.408778D+01
                26            27            28            29            30 
      1   0.203567D-01  0.408778D+01  0.117675D+01  0.346339D+01  0.141667D+01
      2   0.713570D+00  0.638996D-01  0.346339D+01 -0.222259D+00 -0.184060D+00
      3   0.638996D-01  0.276825D+01  0.141667D+01 -0.184060D+00  0.308447D+00
                31            32            33            34            35 
      1   0.275172D+01 -0.546529D+00  0.172804D+00  0.126354D+01 -0.963134D-01
      2  -0.546529D+00 -0.169903D+01  0.148220D+01 -0.963134D-01  0.225072D+01
      3   0.172804D+00  0.148220D+01 -0.482917D+00 -0.201102D-01 -0.212785D+01
                36            37            38            39            40 
      1  -0.201102D-01 -0.167910D+01 -0.347279D+01  0.988151D+00 -0.318330D+01
      2  -0.212785D+01 -0.347279D+01 -0.593362D+00 -0.276211D+01 -0.349942D+00
      3  -0.643489D+01  0.988151D+00 -0.276211D+01 -0.132598D+01 -0.264988D+01
                41            42            43            44            45 
      1  -0.349942D+00 -0.264988D+01  0.993838D+00 -0.292742D+01 -0.111619D+01
      2   0.224442D+00 -0.984046D+00 -0.292742D+01 -0.178357D+01  0.394695D+01
      3  -0.984046D+00  0.475242D+01 -0.111619D+01  0.394695D+01  0.808253D+00
                46            47            48            49            50 
      1  -0.132645D+01  0.127809D+01 -0.904107D+00  0.582075D+00  0.245375D+01
      2   0.127809D+01  0.284088D+01  0.904105D+00  0.245375D+01  0.294596D+01
      3  -0.904107D+00  0.904105D+00  0.299221D+01  0.111996D+01  0.181069D+01
                51            52            53            54            55 
      1   0.111996D+01 -0.113331D+01  0.121339D+01  0.177753D+01 -0.400023D+01
      2   0.181069D+01  0.121339D+01  0.866342D+00 -0.313491D+01 -0.176398D+01
      3  -0.458284D+01  0.177753D+01 -0.313491D+01  0.263635D+01 -0.108765D+01
                56            57            58            59            60 
      1  -0.176398D+01 -0.108765D+01 -0.772169D+00 -0.890757D+00 -0.207253D+00
      2  -0.291303D+01 -0.935354D-01 -0.890757D+00  0.461625D+01 -0.159915D+01
      3  -0.935354D-01 -0.791061D+00 -0.207253D+00 -0.159915D+01 -0.237290D+00
                61            62            63            64            65 
      1  -0.172823D+01 -0.509269D+00 -0.198115D-01 -0.177737D+00 -0.764143D-01
      2  -0.509269D+00 -0.309390D+01  0.189693D+01 -0.764143D-01 -0.157551D-01
      3  -0.198115D-01  0.189693D+01 -0.821340D+00  0.120087D+01  0.637779D-01
                66            67            68            69            70 
      1   0.120087D+01  0.154685D-01  0.118311D+00  0.756648D-01  0.132801D+01
      2   0.637779D-01  0.118311D+00  0.129263D+01  0.122410D+01  0.343082D+00
      3   0.285896D-01  0.756648D-01  0.122410D+01  0.101329D+01  0.206541D+00
                71            72            73            74            75 
      1   0.343082D+00  0.206541D+00  0.157350D+01  0.345160D+01 -0.130585D+00
      2   0.180440D+01  0.142484D+01  0.345160D+01  0.156022D+00  0.351691D+01
      3   0.142484D+01  0.845900D+01 -0.130585D+00  0.351691D+01  0.120447D+01
                76            77            78            79            80 
      1   0.395904D+01  0.961159D+00  0.343269D+01 -0.120317D+00  0.331499D+01
      2   0.961159D+00 -0.138780D+01  0.134995D+01  0.331499D+01  0.112506D+01
      3   0.343269D+01  0.134995D+01 -0.369632D+01  0.199679D+01 -0.398389D+01
                81            82            83            84            85 
      1   0.199679D+01  0.405055D+00  0.452070D+01 -0.937814D+00  0.425672D+01
      2  -0.398389D+01  0.452070D+01  0.251912D-01  0.313616D+01  0.407334D+00
      3  -0.286865D+00 -0.937814D+00  0.313616D+01  0.505216D+00  0.322565D+01
                86            87            88            89            90 
      1   0.407334D+00  0.322565D+01 -0.443456D+00  0.346538D+01  0.101966D+01
      2   0.139902D+01  0.353588D+00  0.346538D+01  0.139677D+01 -0.332981D+01
      3   0.353588D+00 -0.424669D+01  0.101966D+01 -0.332981D+01 -0.232591D+01
                91            92            93            94            95 
      1  -0.148396D+00  0.458903D+00 -0.125509D+01  0.116691D+01 -0.731114D+00
      2   0.458903D+00 -0.340443D+00  0.601672D-01 -0.731114D+00  0.980696D+00
      3  -0.125509D+01  0.601672D-01 -0.773716D+00  0.131399D+00 -0.187849D+01
                96            97            98            99           100 
      1   0.131399D+00 -0.160332D+01  0.602009D-01 -0.928210D+00 -0.195327D+01
      2  -0.187849D+01  0.602009D-01 -0.132407D+01  0.159908D+01 -0.205691D+01
      3   0.361193D+01 -0.928210D+00  0.159908D+01 -0.831367D+01 -0.631646D+00
               101           102           103           104           105 
      1  -0.205691D+01 -0.631646D+00 -0.216127D+01 -0.219920D+01 -0.791234D+00
      2  -0.239346D+01 -0.962902D+00 -0.219920D+01 -0.715504D+01 -0.242430D+01
      3  -0.962902D+00 -0.115905D+01 -0.791234D+00 -0.242430D+01 -0.161816D+01
               106           107           108           109           110 
      1  -0.151643D+00 -0.450055D+00 -0.954834D+00  0.461319D+01  0.323066D+01
      2  -0.450055D+00 -0.112849D+01 -0.110513D+01  0.323066D+01  0.410655D+01
      3  -0.954834D+00 -0.110513D+01 -0.165847D+01  0.381817D-01 -0.173895D+00
               111           112           113           114           115 
      1   0.381817D-01  0.236735D+01  0.210579D+01 -0.604684D-02  0.536826D+00
      2  -0.173895D+00  0.210579D+01  0.340376D+01  0.125745D-01  0.411251D+00
      3   0.910057D+00 -0.604684D-02  0.125745D-01  0.559812D+00  0.563014D+00
               116           117           118           119           120 
      1   0.411251D+00  0.563014D+00  0.533799D+00  0.225689D+00 -0.570436D+00
      2   0.675377D+00  0.656371D+00  0.225689D+00  0.496065D+00 -0.575222D+00
      3   0.656371D+00 -0.245231D-01 -0.570436D+00 -0.575222D+00  0.474104D+00
               121           122           123           124           125 
      1   0.835655D+00 -0.536870D+00 -0.460673D-01 -0.131443D+01  0.949050D-01
      2  -0.536870D+00  0.423648D+01 -0.251676D+01  0.949050D-01 -0.285961D+01
      3  -0.460673D-01 -0.251676D+01  0.278499D+01 -0.551486D+00  0.290395D+01
               126           127           128           129           130 
      1  -0.551486D+00 -0.304344D+01  0.118120D+01  0.146337D+01  0.140470D+01
      2   0.290395D+01  0.118120D+01 -0.126212D+01 -0.105147D+01 -0.181791D+01
      3  -0.385701D+01  0.146337D+01 -0.105147D+01 -0.139935D+01 -0.127119D+01
               131           132           133           134           135 
      1  -0.181791D+01 -0.127119D+01  0.303998D+01 -0.191733D+01 -0.219313D+01
      2   0.295860D+01  0.139241D+01 -0.191733D+01  0.227994D+01  0.217886D+01
      3   0.139241D+01  0.189356D+01 -0.219313D+01  0.217886D+01  0.383672D+01
               136           137           138           139           140 
      1  -0.702918D+01 -0.187271D+01 -0.189258D+01 -0.402424D+01 -0.187645D+01
      2  -0.187271D+01 -0.152416D+01 -0.825686D+00 -0.187645D+01 -0.198239D+01
      3  -0.189258D+01 -0.825686D+00 -0.165005D+01 -0.137277D+01 -0.875948D+00
               141           142           143           144           145 
      1  -0.137277D+01 -0.226905D+01 -0.841733D+00 -0.194187D+01  0.360851D+01
      2  -0.875948D+00 -0.841733D+00 -0.798444D+00 -0.220287D+00 -0.225908D+01
      3  -0.843170D+00 -0.194187D+01 -0.220287D+00 -0.148206D+01  0.105602D+01
               146           147           148           149           150 
      1  -0.225908D+01  0.105602D+01 -0.214860D+01  0.164528D+01 -0.979025D+00
      2   0.275747D+01 -0.164196D+01  0.164528D+01 -0.381942D+01  0.150448D+01
      3  -0.164196D+01  0.186451D+01 -0.979025D+00  0.150448D+01 -0.101716D+01
               151           152           153           154           155 
      1   0.848524D+00 -0.907425D+00  0.892943D+00 -0.490589D+01 -0.328818D+01
      2  -0.907425D+00  0.103157D+01 -0.905829D+00 -0.328818D+01 -0.293293D+01
      3   0.892943D+00 -0.905829D+00  0.173084D+01  0.728306D-01 -0.194171D+00
               156           157           158           159           160 
      1   0.728306D-01 -0.312405D+01 -0.273512D+01 -0.289664D+00 -0.116597D+01
      2  -0.194171D+00 -0.273512D+01 -0.428816D+01  0.295209D-01 -0.102566D+01
      3  -0.122022D+01 -0.289664D+00  0.295209D-01 -0.566064D+00 -0.844596D+00
               161           162           163           164           165 
      1  -0.102566D+01 -0.844596D+00 -0.159230D+01 -0.123672D-01  0.173889D+01
      2  -0.124320D+01 -0.350720D+00 -0.123672D-01 -0.497803D+00 -0.561773D+00
      3  -0.350720D+00 -0.405985D+00  0.173889D+01 -0.561773D+00 -0.186402D+01
               166           167           168           169           170 
      1   0.737534D+00 -0.535968D+00 -0.119395D+01  0.190327D+01 -0.617826D+00
      2  -0.535968D+00  0.130733D+01  0.117737D+01 -0.617826D+00  0.129934D+01
      3  -0.119395D+01  0.117737D+01  0.289690D+01 -0.233968D+01  0.119351D+01
               171 
      1  -0.233968D+01
      2   0.119351D+01
      3   0.688324D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.590066D+00 -0.293624D+00  0.782167D+00 -0.469646D+01  0.319154D+01
      2   0.618093D+01 -0.186073D+01  0.614631D+01 -0.489336D+01  0.107375D+00
      3  -0.571835D+01 -0.397750D+01  0.140592D+01  0.772676D+01  0.311133D+01
                 6             7             8             9            10 
      1  -0.362351D+01  0.246642D+01  0.161757D+00 -0.378837D+01 -0.190609D+01
      2  -0.741385D+00 -0.571689D+01 -0.350561D+01 -0.255450D+01 -0.474901D-01
      3   0.246194D+01  0.382590D+01 -0.138505D+01  0.166044D+01  0.538259D+01
                11            12            13            14            15 
      1  -0.298012D+01 -0.943534D+00  0.204148D+01 -0.101516D+02 -0.277305D+01
      2   0.356309D+01 -0.793355D+01  0.786702D+01 -0.183093D+01 -0.108703D+01
      3   0.826554D+01 -0.300711D+01  0.727355D+01 -0.415095D+01  0.129152D+00
                16            17            18            19            20 
      1  -0.289344D+01  0.668658D+01  0.736767D+01  0.103749D+01  0.464842D+01
      2  -0.717991D+01  0.173891D+01 -0.354339D+01  0.245883D+01  0.154607D+01
      3  -0.704650D+01  0.494827D+01  0.728714D+00 -0.645461D+01 -0.166458D+02
                21            22            23            24            25 
      1  -0.145251D-01 -0.441071D+00  0.321929D+01 -0.189885D+01  0.265826D+01
      2   0.156744D+02 -0.413786D+00  0.273513D+01  0.358032D+00  0.391953D+01
      3  -0.168573D+01 -0.365729D+01 -0.142801D+01 -0.138995D+01  0.842536D+00
                26            27            28            29            30 
      1   0.199132D+01 -0.942754D+00  0.242600D+01 -0.152558D+01  0.199277D+01
      2   0.602749D-01  0.686251D+01  0.219721D+01 -0.435746D+01  0.516523D+00
      3  -0.402958D+01 -0.267184D+01 -0.143071D+01 -0.155129D+01  0.164551D+01
                31            32            33            34            35 
      1  -0.252013D+01  0.134083D+00  0.155111D+01  0.104544D+01  0.476003D+01
      2  -0.465511D+01  0.191851D+01 -0.182665D+01 -0.536344D+01 -0.324105D+00
      3   0.464313D+01  0.660432D+01 -0.563589D+00  0.310583D+01 -0.890385D+00
                36            37            38            39            40 
      1   0.110464D+01 -0.535453D+00 -0.850539D-01 -0.812089D+00  0.637279D+00
      2  -0.272130D+01 -0.956222D+00  0.553667D+01  0.713783D+01  0.520110D+01
      3   0.174684D+00 -0.501619D+01 -0.485446D+01 -0.430649D+01  0.438317D+01
                41            42            43            44            45 
      1   0.814061D+00 -0.303364D+01 -0.424845D-01  0.523941D+01 -0.123838D+01
      2   0.915842D+00 -0.410063D+01 -0.285803D+01 -0.366183D+01 -0.216268D+01
      3  -0.924097D+00 -0.330980D+00 -0.338003D+01 -0.259706D+00  0.548785D+01
                46            47            48            49            50 
      1  -0.142064D+01 -0.354954D+01  0.657864D+00 -0.341300D+01 -0.566472D+01
      2  -0.458111D+01  0.112459D+01 -0.248093D+01  0.544590D+00  0.256997D+01
      3   0.662464D+01  0.146633D+01  0.211175D+01  0.468670D+01 -0.159926D+00
                51            52            53            54            55 
      1  -0.116417D+02 -0.978797D+00 -0.318215D+01  0.957145D+01  0.264201D+01
      2   0.535520D+01 -0.553508D+01  0.293789D+01  0.193351D+01 -0.204202D+01
      3   0.146204D+01  0.120407D+00 -0.544720D+00 -0.555371D+01 -0.114984D+02
                56            57            58            59            60 
      1   0.864468D+00  0.887830D+00  0.193822D+01  0.522449D+01 -0.664760D+01
      2  -0.204767D+01  0.174511D+01 -0.368656D+00 -0.225022D+01  0.577593D+00
      3  -0.659127D+01 -0.123739D+01  0.204422D+01 -0.571260D+01  0.396965D+00
                61            62            63            64            65 
      1   0.826425D+00  0.656728D+00  0.442408D+01 -0.688000D+00  0.461907D-01
      2  -0.304742D+01  0.445120D-01 -0.110259D+01  0.782767D+00  0.776444D+00
      3  -0.409064D+01  0.151554D+01 -0.138167D+01 -0.937304D-01 -0.107490D+01
                66            67            68            69            70 
      1   0.213897D+00  0.186271D-01  0.251135D+00 -0.237521D+00  0.811073D+00
      2   0.276514D+00 -0.150544D+00  0.322972D+00  0.112873D+00 -0.414897D+01
      3   0.289084D+00  0.924533D+00 -0.334530D+00 -0.340439D+00  0.166326D+01
                71            72            73            74            75 
      1   0.317854D+01 -0.537605D+01 -0.924354D+00 -0.310184D+01 -0.290705D+01
      2  -0.410264D+00  0.292296D+01  0.155190D+01 -0.800874D+01 -0.216216D+01
      3  -0.497852D+00 -0.404230D+00  0.115597D+02  0.148237D+01  0.902035D+01
                76            77            78            79            80 
      1  -0.343853D+01 -0.271156D+00  0.127694D+01 -0.435410D+01  0.539311D+01
      2  -0.806962D+01 -0.313117D+01  0.106846D+02 -0.949858D+01  0.121037D+02
      3   0.991346D+01 -0.360581D+01  0.661764D+01  0.885476D+01  0.577161D+01
                81            82            83            84            85 
      1   0.213083D+01  0.540968D+01  0.463598D+01  0.599730D+01  0.569819D+01
      2   0.106581D+01  0.186162D+00 -0.131137D+02  0.325326D+01 -0.118237D+02
      3  -0.838301D+01  0.572681D+01 -0.906025D+01  0.728542D+01 -0.275642D+01
                86            87            88            89            90 
      1   0.419951D+01 -0.756590D+01  0.657510D+01 -0.104312D+01 -0.100965D+02
      2  -0.109362D+01  0.839578D+00 -0.312275D+01 -0.656765D-02  0.335891D+01
      3   0.235900D+01 -0.408407D+01  0.576816D+01 -0.332099D+01 -0.622163D+01
                91            92            93            94            95 
      1  -0.209216D+01  0.802209D+00 -0.612086D+00  0.219649D+01 -0.472697D+01
      2  -0.130335D+00  0.120507D+01 -0.919898D+00  0.320057D+01 -0.619396D+00
      3   0.222786D+00 -0.165030D+01  0.608618D+00 -0.701468D+00  0.177136D+01
                96            97            98            99           100 
      1   0.565992D+01 -0.132385D+01  0.635675D+01 -0.102102D+02  0.245293D+01
      2  -0.195336D+01 -0.464697D+01 -0.894068D+00  0.229408D+01 -0.276002D+01
      3  -0.153141D+01  0.998810D+00 -0.981268D+00  0.288878D+01  0.198329D+01
               101           102           103           104           105 
      1   0.271637D+01 -0.607913D+00  0.264912D+01  0.821091D+01 -0.859305D+00
      2  -0.220665D+01  0.129379D+01 -0.387519D+01 -0.235216D+01  0.130776D+00
      3  -0.169683D+00 -0.104688D+00  0.418043D+01 -0.211997D+01 -0.351528D+00
               106           107           108           109           110 
      1  -0.557766D+00  0.105051D+01 -0.184169D+00 -0.150603D+01 -0.483863D+00
      2  -0.588525D+00 -0.438023D+00 -0.847610D+00  0.158554D+01  0.144114D+01
      3   0.453501D+00  0.118302D+00  0.120614D+01  0.111880D+02  0.388546D+01
               111           112           113           114           115 
      1  -0.222426D+01 -0.931384D+00 -0.381923D+00 -0.152502D+01 -0.119532D+01
      2   0.164608D+01  0.854019D+00  0.104975D+01  0.822593D+00 -0.585652D-01
      3   0.422839D+00  0.453391D+01  0.397017D+01 -0.170909D-01  0.145506D+01
               116           117           118           119           120 
      1  -0.353407D+00  0.914252D-01  0.239489D+00 -0.248553D+00 -0.161874D+00
      2   0.674874D+00  0.355706D+00  0.233807D+01  0.143690D+01 -0.878721D+00
      3   0.169539D+00  0.771611D+00  0.167051D+01  0.109790D+01 -0.179220D+01
               121           122           123           124           125 
      1   0.207686D+00 -0.764222D+00 -0.311279D+01  0.298940D+00  0.551403D+00
      2   0.185497D+01  0.592559D+01 -0.715444D+01 -0.180576D+01 -0.691964D+01
      3   0.193707D+01  0.101900D+02 -0.650094D+01 -0.243965D+01 -0.714496D+01
               126           127           128           129           130 
      1   0.297775D+01 -0.182781D+01  0.104144D+01  0.233657D+01  0.171630D+01
      2   0.893351D+01 -0.411108D+01  0.332987D+01  0.550546D+01  0.298098D+01
      3   0.664280D+01  0.180766D+00 -0.352772D+01 -0.162811D+01 -0.185089D+01
               131           132           133           134           135 
      1  -0.148524D+01 -0.380953D+01  0.228005D+01 -0.749685D+00 -0.546701D+01
      2  -0.414261D+01 -0.610322D+01  0.407762D+01 -0.591902D+01 -0.112734D+02
      3   0.631922D+01  0.250996D+01 -0.154092D+01  0.514039D+01  0.404127D+01
               136           137           138           139           140 
      1   0.217182D+01  0.196337D+01  0.988908D+00  0.148189D+01  0.219766D+01
      2   0.180392D+01  0.136290D+01  0.546826D+01  0.154888D+01  0.156090D+01
      3  -0.926600D+01 -0.763498D+01 -0.369637D+01 -0.577222D+01 -0.787404D+01
               141           142           143           144           145 
      1  -0.367354D+00  0.158583D+01  0.162947D+01  0.606589D+00 -0.204485D+01
      2   0.269837D+01  0.251492D+01  0.264207D+00  0.337254D+01 -0.859065D+01
      3  -0.311725D+01 -0.359389D+01 -0.350463D+01 -0.190765D+01 -0.996154D+01
               146           147           148           149           150 
      1   0.236019D+01  0.122896D+01  0.118895D+01 -0.367466D+01 -0.841111D+00
      2   0.534539D+01 -0.204439D+01  0.528407D+01 -0.439024D+01  0.216707D+01
      3   0.512549D+01 -0.308440D+01  0.723060D+01 -0.640030D+01  0.322722D+01
               151           152           153           154           155 
      1   0.265739D-01  0.140824D+01  0.120537D+01 -0.477211D+01 -0.443501D+01
      2  -0.356589D+01  0.266198D+01 -0.309032D+01  0.614255D+01  0.467078D+01
      3  -0.280796D+01  0.229420D+01 -0.246594D+01  0.249323D+01 -0.206107D+01
               156           157           158           159           160 
      1  -0.352677D+01 -0.441956D+01 -0.576306D+01 -0.261135D+01 -0.227015D+01
      2   0.409924D+01  0.497707D+01  0.386673D+01  0.237186D+01  0.171966D+01
      3  -0.984398D-01  0.200291D+01 -0.363325D+01  0.498281D+00  0.515139D+00
               161           162           163           164           165 
      1  -0.850145D+00 -0.169917D+01  0.192814D+01 -0.237545D+01 -0.327615D+01
      2   0.155373D+01  0.225403D+01  0.697277D-01  0.857244D+00  0.177301D+01
      3  -0.980615D+00  0.557798D+00  0.136256D+01 -0.182489D+01 -0.275198D+01
               166           167           168           169           170 
      1  -0.199279D+01  0.483962D+01  0.394410D+01 -0.391368D+01  0.641562D+01
      2  -0.632715D-01 -0.116242D+01 -0.315178D+01 -0.146354D+01 -0.100850D+01
      3  -0.373532D+00  0.306572D+01  0.299838D+01 -0.270376D+01  0.358191D+01
               171 
      1   0.101262D+02
      2  -0.813216D+01
      3   0.482957D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.839825D+01 -0.214637D+01 -0.377965D+01  0.237626D+01 -0.969646D+01
      2  -0.380215D+01  0.721372D+00 -0.137280D+00 -0.263113D+01  0.158789D+02
      3  -0.459610D+01  0.142499D+01  0.391693D+01  0.254872D+00 -0.618246D+01
      4  -0.659754D+01  0.139216D+02  0.386201D+01  0.770839D+01 -0.704272D+01
      5  -0.662774D+01  0.463967D+01  0.128229D+02  0.391205D+01 -0.462974D+01
      6   0.340170D+01  0.531070D+00 -0.131401D+01 -0.150975D+01  0.837637D+01
                 6             7             8             9            10 
      1  -0.488105D+01  0.229061D+01 -0.444811D+01 -0.982700D+01 -0.486615D+02
      2   0.205408D+01  0.360714D+00  0.238417D+01 -0.311797D+01  0.279878D+02
      3   0.282696D+01 -0.265132D+01  0.206394D+01  0.129450D+02  0.206737D+02
      4  -0.245102D+01  0.353863D+01  0.245711D+01 -0.365116D+01 -0.440004D+01
      5   0.850909D+00  0.725084D+01 -0.386624D+01 -0.397444D+01 -0.177300D+02
      6   0.794412D+01 -0.103561D+01  0.950433D+01  0.835432D+01  0.336361D+01
                11            12            13            14            15 
      1  -0.128984D+01 -0.988222D+01 -0.671199D+01  0.930821D+00  0.791049D+01
      2  -0.431464D+01  0.794357D+01  0.289658D+01 -0.127915D+01 -0.137351D+01
      3   0.560448D+01  0.193865D+01  0.381541D+01  0.348326D+00 -0.653698D+01
      4  -0.128743D+02  0.120526D+01  0.335771D+01 -0.326891D+01  0.603375D+00
      5   0.682021D+00 -0.170183D+02 -0.246186D+01  0.242824D-01 -0.202925D+01
      6  -0.446982D+01  0.189468D+01 -0.340822D+00 -0.543136D+01  0.622734D+00
                16            17            18            19            20 
      1  -0.150295D+02  0.683265D+01 -0.126402D+01  0.999385D+02  0.274020D+01
      2   0.734357D+01 -0.700459D+01  0.847708D+00 -0.543549D+02  0.205447D+01
      3   0.768593D+01  0.171944D+00  0.416316D+00 -0.455836D+02 -0.479467D+01
      4  -0.213164D+01 -0.695500D+01  0.134690D+01  0.656948D+00  0.227542D+02
      5  -0.199123D+01  0.291706D+01 -0.672985D+01  0.237032D+02 -0.592946D+00
      6   0.198721D+01 -0.190448D+01 -0.459344D+01 -0.536770D+01  0.244627D+01
                21            22            23            24            25 
      1   0.161232D+02  0.308756D+01  0.102721D+02 -0.174643D+01  0.118120D+02
      2  -0.118966D+02 -0.272402D+01 -0.760594D+00  0.556699D+00 -0.986108D+01
      3  -0.422663D+01 -0.363547D+00 -0.951149D+01  0.118973D+01 -0.195092D+01
      4  -0.971902D+00  0.224215D+02  0.144524D+01  0.567982D+01 -0.853035D+00
      5   0.270883D+02 -0.102354D+01  0.460134D+01  0.628764D+00  0.277840D+02
      6  -0.278709D+01  0.343131D+01 -0.460204D+00  0.499966D+01 -0.253071D+01
                26            27            28            29            30 
      1  -0.835117D+00  0.128847D+02 -0.736315D+01  0.481264D+01  0.238575D+01
      2   0.785507D+00 -0.136113D+02  0.479151D+01 -0.518700D+01 -0.112156D+01
      3   0.496093D-01  0.726660D+00  0.257163D+01  0.374361D+00 -0.126418D+01
      4   0.568405D+01 -0.116945D+01  0.121155D+01 -0.281821D+00 -0.234992D+00
      5  -0.168756D+00  0.172019D+02  0.242246D+01  0.142294D+00 -0.549729D+00
      6   0.501385D+01 -0.195862D+01  0.144339D+01 -0.507096D+00 -0.236653D+01
                31            32            33            34            35 
      1  -0.498530D+01  0.730571D+01 -0.688743D+01 -0.675247D+00 -0.828727D+01
      2   0.318180D+01 -0.134081D+02  0.543557D+01  0.252811D+00  0.153249D+02
      3   0.180351D+01  0.610238D+01  0.145186D+01  0.422436D+00 -0.703766D+01
      4  -0.336267D+01 -0.241106D+01  0.172868D+01 -0.927931D+00 -0.774241D+00
      5  -0.487427D+00  0.492808D+00 -0.395708D+01 -0.234547D+01 -0.104133D+01
      6   0.147869D+01  0.245651D+01 -0.264956D+01 -0.112686D+00 -0.206669D+01
                36            37            38            39            40 
      1   0.100194D+02  0.169557D+01  0.905029D+01 -0.495372D+01  0.138988D+02
      2   0.105701D+02 -0.862322D+00 -0.211720D+01  0.325755D+01 -0.413391D+01
      3  -0.205895D+02 -0.833248D+00 -0.693309D+01  0.169617D+01 -0.976491D+01
      4   0.663940D+00  0.126388D+02 -0.348493D+00  0.573792D+01 -0.430835D+00
      5  -0.570356D+01 -0.534851D+01  0.626252D+01  0.232591D+01  0.108059D+02
      6  -0.110581D+02 -0.288381D+01  0.507907D+01  0.745225D+00  0.373896D+01
                41            42            43            44            45 
      1   0.671932D+00  0.745832D+01 -0.337847D+01  0.704744D+01  0.378910D+01
      2   0.290917D+01 -0.454741D+01  0.139033D+01 -0.208454D+01 -0.635151D+01
      3  -0.358110D+01 -0.291091D+01  0.198814D+01 -0.496290D+01  0.256241D+01
      4  -0.255814D+00  0.327745D+01  0.918745D+01  0.243220D+01 -0.906999D+01
      5   0.406219D+01 -0.965339D+01  0.382986D+01 -0.977552D+01  0.281941D+01
      6   0.469963D+01 -0.557757D+01 -0.237556D+01 -0.568023D+01  0.362397D+01
                46            47            48            49            50 
      1  -0.394491D+01  0.439032D+01  0.823665D+01  0.310565D+01  0.729821D+01
      2  -0.857625D+00 -0.818342D+01 -0.620940D+00 -0.785275D+01 -0.118554D+02
      3   0.480254D+01  0.379310D+01 -0.761571D+01  0.474711D+01  0.455724D+01
      4  -0.235425D+01 -0.117070D+02 -0.353771D+01 -0.691748D+01 -0.878658D+01
      5   0.333325D+01 -0.549681D+01 -0.708704D+01 -0.497723D+01 -0.722623D+01
      6   0.726436D+00 -0.101228D+02 -0.592851D+01 -0.879295D+01 -0.119779D+02
                51            52            53            54            55 
      1  -0.803286D+01  0.659565D+01 -0.615875D+01  0.726898D+01  0.364736D+01
      2  -0.114656D+02 -0.195533D+01 -0.774135D+01  0.108399D+02 -0.717821D+01
      3   0.194984D+02 -0.464032D+01  0.139001D+02 -0.181089D+02  0.353085D+01
      4  -0.541244D+01 -0.162036D+01 -0.231598D+01  0.131331D+01 -0.164431D+02
      5   0.472190D+01 -0.281853D+01  0.167166D+01 -0.569175D+01 -0.168395D+01
      6  -0.259805D+01 -0.274046D+01 -0.566837D+00  0.690349D+01 -0.382375D+01
                56            57            58            59            60 
      1   0.175391D+01 -0.352482D+00  0.323830D+01 -0.207663D+02  0.661022D+01
      2  -0.880548D+01  0.642733D+00 -0.571210D+01  0.316075D+02 -0.339765D+01
      3   0.705157D+01 -0.290251D+00  0.247380D+01 -0.108412D+02 -0.321257D+01
      4  -0.464533D+01 -0.285668D+01  0.297459D+00 -0.361231D+01 -0.206105D+01
      5  -0.646552D+00  0.339851D+01 -0.291465D+00 -0.127579D+01  0.195383D+01
      6  -0.184379D+01 -0.779451D+00 -0.174996D+01 -0.555921D+01  0.823033D+01
                61            62            63            64            65 
      1  -0.863324D+00  0.850409D+01 -0.874024D+01  0.255107D-01 -0.515025D+00
      2  -0.698982D+00 -0.136454D+02  0.310545D+01 -0.321405D+01 -0.103150D+00
      3   0.156231D+01  0.514136D+01  0.563479D+01  0.318854D+01  0.618174D+00
      4  -0.532276D+01 -0.407200D+01  0.513459D+00 -0.344493D+00  0.248563D+01
      5   0.327113D+01  0.200507D+01 -0.225478D+01  0.109531D+01  0.136244D+01
      6  -0.831373D+00  0.112617D+02 -0.598351D+01  0.230408D+01  0.240616D+00
                66            67            68            69            70 
      1   0.382789D+00  0.109794D+00 -0.579481D+01 -0.387243D+01  0.562561D+00
      2  -0.618221D+00 -0.161373D+00  0.283611D+01  0.120618D+01 -0.518544D+00
      3   0.235433D+00  0.515798D-01  0.295870D+01  0.266625D+01 -0.440169D-01
      4   0.251892D+01  0.173489D+01  0.616845D+00  0.313938D+00  0.177333D+01
      5   0.660913D+01  0.776783D+00  0.552050D+00  0.736307D+00  0.580823D+01
      6   0.680470D+00  0.297078D+00  0.505017D+01  0.845546D+01  0.796098D+00
                71            72            73            74            75 
      1  -0.517335D+01 -0.191895D+02 -0.125202D+02 -0.176190D+02 -0.412732D+01
      2   0.108910D+01 -0.148259D+02  0.111404D+02  0.112779D+02  0.645129D+01
      3   0.408426D+01  0.340154D+02  0.137983D+01  0.634111D+01 -0.232398D+01
      4   0.963271D+00  0.344025D+00 -0.181372D+02 -0.984781D+00 -0.168625D+02
      5   0.109734D+01  0.528367D+01 -0.187652D+01 -0.187310D+02 -0.925265D+01
      6   0.799728D+01  0.170706D+02 -0.559044D+01  0.398460D+01  0.657419D+00
                76            77            78            79            80 
      1  -0.226291D+02 -0.557922D+00 -0.211039D+02 -0.440540D+01 -0.195912D+02
      2   0.143363D+02  0.708849D+00  0.107807D+02  0.691290D+01  0.893720D+01
      3   0.829280D+01 -0.150927D+00  0.103233D+02 -0.250749D+01  0.106540D+02
      4  -0.426216D+01  0.404196D+01 -0.118906D+01 -0.195691D+02  0.122247D+01
      5  -0.223757D+02 -0.414445D+01  0.140853D+02 -0.128142D+02  0.161464D+02
      6   0.338126D+01  0.193557D+01 -0.973249D+01  0.380416D+01 -0.103173D+02
                81            82            83            84            85 
      1  -0.265458D+01  0.386967D+01 -0.202201D+02  0.435988D+01 -0.201386D+02
      2  -0.208289D+01 -0.108475D+02  0.209039D+01 -0.119467D+02 -0.364164D+00
      3   0.473747D+01  0.697781D+01  0.181297D+02  0.758679D+01  0.205028D+02
      4   0.168160D+02 -0.133865D+02 -0.145746D+02 -0.534540D+01 -0.151110D+02
      5   0.419493D+01  0.674700D+00  0.866298D+00 -0.512229D+01 -0.152099D+01
      6  -0.251112D+00  0.796273D+01 -0.758699D+01  0.663500D+01 -0.716122D+01
                86            87            88            89            90 
      1  -0.224871D+01 -0.308275D+01  0.174433D+01 -0.405833D+01 -0.230103D+01
      2  -0.420468D+01  0.106337D+02 -0.124373D+02  0.818233D+01  0.155384D+02
      3   0.645339D+01 -0.755093D+01  0.106930D+02 -0.412400D+01 -0.132374D+02
      4  -0.478458D+01 -0.766857D+01 -0.919337D+01 -0.106875D+02  0.973217D+01
      5  -0.335087D+01  0.187994D+02 -0.644453D+01  0.163543D+02  0.965948D+01
      6  -0.816298D+00  0.535387D+01  0.720594D+01  0.620733D+01 -0.836148D+01
                91            92            93            94            95 
      1  -0.651689D+00 -0.661912D+00  0.884081D-01 -0.730852D+00 -0.518502D+01
      2  -0.426951D+01  0.137529D+01 -0.174003D+01  0.257455D+01 -0.117976D+01
      3   0.492120D+01 -0.713375D+00  0.165163D+01 -0.184370D+01  0.636478D+01
      4  -0.184887D+00  0.219300D+01  0.758112D+00  0.162647D+01  0.135683D+00
      5   0.195856D+01 -0.129463D+01  0.852243D+01 -0.278610D+01  0.249442D+01
      6  -0.849134D+00  0.118947D+01  0.591754D+00  0.276098D+01 -0.315146D+01
                96            97            98            99           100 
      1   0.762662D+01 -0.202659D+01  0.307432D+01 -0.218757D+02  0.377233D+00
      2   0.887336D+01 -0.180654D+01  0.478016D+01 -0.206105D+02  0.468223D+01
      3  -0.165000D+02  0.383313D+01 -0.785448D+01  0.424861D+02 -0.505946D+01
      4   0.211862D+01  0.797983D+00  0.163991D+01 -0.117406D+01  0.911758D+01
      5  -0.414577D+01  0.722916D+01 -0.952027D+00  0.862544D+01  0.527587D+01
      6   0.610514D+01  0.182659D-01  0.599087D+01  0.103855D+00  0.582068D+01
               101           102           103           104           105 
      1  -0.305809D+01 -0.201141D+01 -0.331998D+01 -0.184791D+02 -0.710406D+01
      2   0.680061D+01  0.101034D+01  0.682864D+01  0.290392D+02  0.727399D+01
      3  -0.374251D+01  0.100107D+01 -0.350866D+01 -0.105601D+02 -0.169932D+00
      4   0.119884D+02  0.433263D+01  0.111325D+02  0.156727D+02  0.517809D+01
      5   0.619470D+01  0.504340D+01  0.535942D+01  0.663191D+01  0.404501D+01
      6   0.743107D+01  0.548120D+01  0.651745D+01  0.220695D+02  0.129595D+02
               106           107           108           109           110 
      1  -0.246380D+01 -0.368410D+01 -0.620132D+01  0.184428D+01 -0.293784D+01
      2   0.281508D+00  0.231760D+01  0.194814D+01  0.897807D+01  0.136545D+02
      3   0.218230D+01  0.136650D+01  0.425318D+01 -0.108224D+02 -0.107167D+02
      4   0.145791D+01  0.244674D+01  0.328198D+01  0.212169D+02  0.185174D+02
      5   0.262867D+01  0.292841D+01  0.338520D+01 -0.168276D+00 -0.200911D+00
      6   0.366760D+01  0.896578D+01  0.611996D+01  0.179553D+01  0.909572D+00
               111           112           113           114           115 
      1   0.150969D+00 -0.183452D+01 -0.495354D+01 -0.210800D+00 -0.252866D+00
      2  -0.515916D+00  0.833352D+01  0.141735D+02  0.418851D+00  0.115468D+01
      3   0.364948D+00 -0.649900D+01 -0.921998D+01 -0.208052D+00 -0.901811D+00
      4   0.402961D+00  0.121729D+02  0.119908D+02  0.221116D+00  0.260982D+01
      5   0.197545D+01 -0.268890D+00  0.206396D+00  0.797981D+00  0.277110D+01
      6   0.307181D+01  0.774979D+00  0.122908D+01  0.250742D+01  0.332308D+01
               116           117           118           119           120 
      1  -0.108938D+01 -0.981846D+00 -0.171668D+01 -0.172629D+01  0.416824D+01
      2   0.214065D+01  0.121570D+01  0.834406D+00  0.917870D+00 -0.158015D+01
      3  -0.105127D+01 -0.233856D+00  0.882274D+00  0.808423D+00 -0.258809D+01
      4   0.239308D+01  0.308155D+01  0.101551D+01  0.142555D+01 -0.434028D-01
      5   0.190725D+01  0.500253D+00  0.151269D+01  0.826220D+00  0.115807D+01
      6   0.421068D+01  0.482586D+00 -0.167281D+01 -0.105878D+01  0.865754D+00
               121           122           123           124           125 
      1  -0.325048D+01 -0.904242D+01  0.866270D+01  0.616995D+01  0.881292D+01
      2   0.103036D+01  0.121519D+02 -0.583328D+01 -0.314640D+01 -0.611194D+01
      3   0.222012D+01 -0.310951D+01 -0.282941D+01 -0.302355D+01 -0.270097D+01
      4   0.643104D+01 -0.164194D+02  0.943934D+01 -0.290859D+01  0.107246D+02
      5  -0.868394D+00  0.100220D+02 -0.119836D+02  0.579024D+01 -0.117097D+02
      6   0.749892D+00 -0.117667D+02  0.117043D+02 -0.138981D+01  0.121502D+02
               126           127           128           129           130 
      1  -0.876985D+01  0.165826D+02 -0.488825D+01 -0.680894D+01 -0.517522D+01
      2   0.896732D+00 -0.717995D+01 -0.474227D+00  0.182489D+01 -0.117316D+01
      3   0.787311D+01 -0.940266D+01  0.536248D+01  0.498405D+01  0.634838D+01
      4  -0.109792D+02 -0.103907D+02  0.103303D+02  0.832914D+01  0.132559D+02
      5   0.148143D+02 -0.903300D+01  0.715305D+01  0.107873D+02  0.804672D+01
      6  -0.125026D+02  0.417884D+01 -0.275570D+01 -0.308045D+01 -0.375620D+01
               131           132           133           134           135 
      1   0.212825D+01  0.321785D+01 -0.127969D+02  0.447705D+01  0.364455D+01
      2   0.557082D+01  0.130604D+01  0.508363D+01  0.160423D+01 -0.282300D+01
      3  -0.769907D+01 -0.452388D+01  0.771331D+01 -0.608128D+01 -0.821553D+00
      4  -0.166647D+02 -0.887509D+01  0.139490D+02 -0.135878D+02 -0.125711D+02
      5  -0.800364D+01 -0.103105D+02  0.151200D+02 -0.118457D+02 -0.216337D+02
      6   0.611428D+01  0.780407D+01 -0.561882D+01  0.862014D+01  0.102181D+02
               136           137           138           139           140 
      1   0.463339D+02  0.121587D+02  0.115717D+02  0.232988D+02  0.921289D+01
      2  -0.273144D+02 -0.806493D+01 -0.914303D+01 -0.139597D+02 -0.488757D+01
      3  -0.190194D+02 -0.409379D+01 -0.242867D+01 -0.933910D+01 -0.432532D+01
      4   0.878277D+01  0.100941D+02  0.400802D+01  0.121780D+02  0.122061D+02
      5   0.165503D+02  0.612992D+01  0.131547D+02  0.104805D+02  0.582448D+01
      6   0.155073D+01  0.105551D+01  0.270100D+00  0.194159D+01  0.261132D+01
               141           142           143           144           145 
      1   0.655606D+01  0.128804D+02  0.448466D+01  0.780331D+01 -0.942236D+01
      2  -0.554217D+01 -0.102139D+02 -0.369202D+01 -0.712960D+01  0.783489D+01
      3  -0.101389D+01 -0.266653D+01 -0.792640D+00 -0.673709D+00  0.158747D+01
      4   0.437860D+01  0.410185D+01  0.398524D+01  0.136034D+01 -0.697028D+01
      5   0.673341D+01  0.147673D+02  0.276585D+01  0.100700D+02  0.839614D+01
      6   0.328667D+01  0.448510D+00  0.353868D+01  0.106460D+01 -0.716216D+01
               146           147           148           149           150 
      1   0.132338D+02 -0.837219D+01  0.104874D+02 -0.149052D+02  0.801161D+01
      2  -0.110330D+02  0.309842D+01 -0.808315D+01  0.171281D+02 -0.543713D+01
      3  -0.220086D+01  0.527377D+01 -0.240421D+01 -0.222293D+01 -0.257448D+01
      4   0.463302D+01 -0.735618D+00  0.641025D+01 -0.730099D-01  0.769734D+00
      5  -0.343761D+01  0.238310D+01 -0.409302D+01  0.232287D+01 -0.201984D+01
      6   0.101960D+02 -0.887301D+01  0.657212D+01 -0.132461D+02  0.875896D+01
               151           152           153           154           155 
      1  -0.509263D+01  0.704597D+01 -0.769852D+01  0.207471D+02  0.950148D+01
      2   0.257358D+01 -0.393828D+01  0.564845D-01 -0.119487D+01  0.545752D+01
      3   0.251905D+01 -0.310769D+01  0.764203D+01 -0.195522D+02 -0.149590D+02
      4  -0.858849D+00  0.145148D+01 -0.190483D+01  0.253406D+02  0.215438D+02
      5   0.397105D+01 -0.216669D+01 -0.910623D-02 -0.752107D+01 -0.497581D+01
      6  -0.553455D+01  0.779484D+01 -0.693691D+01 -0.422369D+01 -0.372345D+01
               156           157           158           159           160 
      1   0.175727D+01  0.901664D+01  0.183962D+01  0.153492D+01  0.518878D+01
      2   0.248705D+01  0.555543D+01  0.141724D+02  0.500656D+00  0.143730D+01
      3  -0.424432D+01 -0.145721D+02 -0.160120D+02 -0.203557D+01 -0.662607D+01
      4   0.567925D+00  0.206452D+02  0.233210D+02  0.915022D+00  0.628341D+01
      5   0.629699D+01 -0.489357D+01 -0.380419D+01  0.199048D+01  0.394484D+01
      6   0.356033D+01 -0.314363D+01 -0.607811D+01  0.411571D+01  0.220176D+01
               161           162           163           164           165 
      1   0.163979D+01  0.246342D+01  0.446735D+01  0.215797D+00 -0.340207D+01
      2   0.281900D+01 -0.777031D+00 -0.699717D+01  0.253582D+01  0.983710D+01
      3  -0.445880D+01 -0.168639D+01  0.252982D+01 -0.275162D+01 -0.643503D+01
      4   0.639280D+01  0.368436D+01  0.132411D+01  0.413967D+01  0.723150D-01
      5   0.108589D+01  0.949816D+00 -0.107823D+02  0.232415D+01  0.136950D+02
      6   0.241648D+01  0.246907D+01 -0.974245D+00 -0.994899D+00  0.675318D+00
               166           167           168           169           170 
      1  -0.124037D+01 -0.436930D+00 -0.147171D+01 -0.302699D+01  0.602074D+00
      2   0.485275D+01 -0.378752D+01 -0.983372D+01  0.110796D+02 -0.695141D+01
      3  -0.361238D+01  0.422445D+01  0.113054D+02 -0.805266D+01  0.634933D+01
      4   0.344706D+01 -0.401530D+01 -0.281541D+01 -0.313764D+00 -0.340048D+01
      5   0.666688D+01 -0.479985D+01 -0.112438D+02  0.149826D+02 -0.525736D+01
      6  -0.103861D+01  0.515195D+01  0.394090D+01  0.812803D+00  0.547364D+01
               171 
      1  -0.919060D+01
      2  -0.245097D+02
      3   0.337003D+02
      4  -0.161825D+01
      5  -0.273560D+02
      6  -0.355785D+01
 Leave Link  716 at Thu Jul  8 21:17:22 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.927351D+02  0.209585D+01  0.415115D+01
      2   0.209585D+01  0.786102D+02  0.120703D+01
      3   0.415115D+01  0.120703D+01  0.762311D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.342815D+01  0.978238D+01  0.449308D+01
      2   0.362859D+01  0.684398D+01 -0.280253D+02
      3  -0.104583D+02  0.301843D+02 -0.815069D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.359251D+02  0.459549D+01  0.150739D+02
      2   0.207824D+02 -0.112177D+01 -0.253909D+02
      3   0.151428D+02 -0.347372D+01  0.103170D+02
      4  -0.964262D+01 -0.631302D+02  0.657951D+01
      5   0.278798D+02  0.832807D+01 -0.683698D+02
      6  -0.375683D+01  0.857727D-01 -0.141275D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.357336D+01 -0.194546D+01 -0.111325D+01 -0.148080D+01  0.574728D+00
      2  -0.194546D+01  0.876209D-01  0.474952D+00  0.574728D+00 -0.376903D+01
      3  -0.111325D+01  0.474952D+00 -0.679853D+00  0.117461D+00 -0.117454D+01
                 6             7             8             9            10 
      1   0.117461D+00 -0.750795D+00 -0.243355D+00  0.251869D+00 -0.646634D+01
      2  -0.117454D+01 -0.243355D+00 -0.171582D+01 -0.139642D+01 -0.188723D+01
      3  -0.750203D+00  0.251869D+00 -0.139642D+01 -0.291120D+01 -0.343328D+01
                11            12            13            14            15 
      1  -0.188723D+01 -0.343328D+01 -0.122254D+01  0.677065D+00  0.824162D+00
      2  -0.445139D+00  0.702344D+00  0.677065D+00 -0.164471D+00  0.124286D+00
      3   0.702344D+00 -0.100813D+00  0.824162D+00  0.124286D+00  0.458552D+00
                16            17            18            19            20 
      1  -0.187586D+01  0.612833D+00  0.113783D+00  0.168382D+02  0.824915D+00
      2   0.612833D+00  0.504013D+00  0.690453D+00  0.824915D+00  0.267066D+01
      3   0.113783D+00  0.690453D+00  0.139926D+01  0.398145D+01  0.168366D+00
                21            22            23            24            25 
      1   0.398145D+01  0.397910D-01  0.327646D+01 -0.292707D+00  0.264238D+01
      2   0.168366D+00  0.327646D+01  0.900173D+00  0.992061D+00  0.203567D-01
      3   0.267652D+01 -0.292707D+00  0.992061D+00  0.693382D-01  0.408778D+01
                26            27            28            29            30 
      1   0.203567D-01  0.408778D+01  0.117675D+01  0.346339D+01  0.141667D+01
      2   0.713570D+00  0.638996D-01  0.346339D+01 -0.222259D+00 -0.184060D+00
      3   0.638996D-01  0.276825D+01  0.141667D+01 -0.184060D+00  0.308447D+00
                31            32            33            34            35 
      1   0.275172D+01 -0.546529D+00  0.172804D+00  0.126354D+01 -0.963134D-01
      2  -0.546529D+00 -0.169903D+01  0.148220D+01 -0.963134D-01  0.225072D+01
      3   0.172804D+00  0.148220D+01 -0.482917D+00 -0.201102D-01 -0.212785D+01
                36            37            38            39            40 
      1  -0.201102D-01 -0.167910D+01 -0.347279D+01  0.988151D+00 -0.318330D+01
      2  -0.212785D+01 -0.347279D+01 -0.593362D+00 -0.276211D+01 -0.349942D+00
      3  -0.643489D+01  0.988151D+00 -0.276211D+01 -0.132598D+01 -0.264988D+01
                41            42            43            44            45 
      1  -0.349942D+00 -0.264988D+01  0.993838D+00 -0.292742D+01 -0.111619D+01
      2   0.224442D+00 -0.984046D+00 -0.292742D+01 -0.178357D+01  0.394695D+01
      3  -0.984046D+00  0.475242D+01 -0.111619D+01  0.394695D+01  0.808253D+00
                46            47            48            49            50 
      1  -0.132645D+01  0.127809D+01 -0.904107D+00  0.582075D+00  0.245375D+01
      2   0.127809D+01  0.284088D+01  0.904105D+00  0.245375D+01  0.294596D+01
      3  -0.904107D+00  0.904105D+00  0.299221D+01  0.111996D+01  0.181069D+01
                51            52            53            54            55 
      1   0.111996D+01 -0.113331D+01  0.121339D+01  0.177753D+01 -0.400023D+01
      2   0.181069D+01  0.121339D+01  0.866342D+00 -0.313491D+01 -0.176398D+01
      3  -0.458284D+01  0.177753D+01 -0.313491D+01  0.263635D+01 -0.108765D+01
                56            57            58            59            60 
      1  -0.176398D+01 -0.108765D+01 -0.772169D+00 -0.890757D+00 -0.207253D+00
      2  -0.291303D+01 -0.935354D-01 -0.890757D+00  0.461625D+01 -0.159915D+01
      3  -0.935354D-01 -0.791061D+00 -0.207253D+00 -0.159915D+01 -0.237290D+00
                61            62            63            64            65 
      1  -0.172823D+01 -0.509269D+00 -0.198115D-01 -0.177737D+00 -0.764143D-01
      2  -0.509269D+00 -0.309390D+01  0.189693D+01 -0.764143D-01 -0.157551D-01
      3  -0.198115D-01  0.189693D+01 -0.821340D+00  0.120087D+01  0.637779D-01
                66            67            68            69            70 
      1   0.120087D+01  0.154685D-01  0.118311D+00  0.756648D-01  0.132801D+01
      2   0.637779D-01  0.118311D+00  0.129263D+01  0.122410D+01  0.343082D+00
      3   0.285896D-01  0.756648D-01  0.122410D+01  0.101329D+01  0.206541D+00
                71            72            73            74            75 
      1   0.343082D+00  0.206541D+00  0.157350D+01  0.345160D+01 -0.130585D+00
      2   0.180440D+01  0.142484D+01  0.345160D+01  0.156022D+00  0.351691D+01
      3   0.142484D+01  0.845900D+01 -0.130585D+00  0.351691D+01  0.120447D+01
                76            77            78            79            80 
      1   0.395904D+01  0.961159D+00  0.343269D+01 -0.120317D+00  0.331499D+01
      2   0.961159D+00 -0.138780D+01  0.134995D+01  0.331499D+01  0.112506D+01
      3   0.343269D+01  0.134995D+01 -0.369632D+01  0.199679D+01 -0.398389D+01
                81            82            83            84            85 
      1   0.199679D+01  0.405055D+00  0.452070D+01 -0.937814D+00  0.425672D+01
      2  -0.398389D+01  0.452070D+01  0.251912D-01  0.313616D+01  0.407334D+00
      3  -0.286865D+00 -0.937814D+00  0.313616D+01  0.505216D+00  0.322565D+01
                86            87            88            89            90 
      1   0.407334D+00  0.322565D+01 -0.443456D+00  0.346538D+01  0.101966D+01
      2   0.139902D+01  0.353588D+00  0.346538D+01  0.139677D+01 -0.332981D+01
      3   0.353588D+00 -0.424669D+01  0.101966D+01 -0.332981D+01 -0.232591D+01
                91            92            93            94            95 
      1  -0.148396D+00  0.458903D+00 -0.125509D+01  0.116691D+01 -0.731114D+00
      2   0.458903D+00 -0.340443D+00  0.601672D-01 -0.731114D+00  0.980696D+00
      3  -0.125509D+01  0.601672D-01 -0.773716D+00  0.131399D+00 -0.187849D+01
                96            97            98            99           100 
      1   0.131399D+00 -0.160332D+01  0.602009D-01 -0.928210D+00 -0.195327D+01
      2  -0.187849D+01  0.602009D-01 -0.132407D+01  0.159908D+01 -0.205691D+01
      3   0.361193D+01 -0.928210D+00  0.159908D+01 -0.831367D+01 -0.631646D+00
               101           102           103           104           105 
      1  -0.205691D+01 -0.631646D+00 -0.216127D+01 -0.219920D+01 -0.791234D+00
      2  -0.239346D+01 -0.962902D+00 -0.219920D+01 -0.715504D+01 -0.242430D+01
      3  -0.962902D+00 -0.115905D+01 -0.791234D+00 -0.242430D+01 -0.161816D+01
               106           107           108           109           110 
      1  -0.151643D+00 -0.450055D+00 -0.954834D+00  0.461319D+01  0.323066D+01
      2  -0.450055D+00 -0.112849D+01 -0.110513D+01  0.323066D+01  0.410655D+01
      3  -0.954834D+00 -0.110513D+01 -0.165847D+01  0.381817D-01 -0.173895D+00
               111           112           113           114           115 
      1   0.381817D-01  0.236735D+01  0.210579D+01 -0.604684D-02  0.536826D+00
      2  -0.173895D+00  0.210579D+01  0.340376D+01  0.125745D-01  0.411251D+00
      3   0.910057D+00 -0.604684D-02  0.125745D-01  0.559812D+00  0.563014D+00
               116           117           118           119           120 
      1   0.411251D+00  0.563014D+00  0.533799D+00  0.225689D+00 -0.570436D+00
      2   0.675377D+00  0.656371D+00  0.225689D+00  0.496065D+00 -0.575222D+00
      3   0.656371D+00 -0.245231D-01 -0.570436D+00 -0.575222D+00  0.474104D+00
               121           122           123           124           125 
      1   0.835655D+00 -0.536870D+00 -0.460673D-01 -0.131443D+01  0.949050D-01
      2  -0.536870D+00  0.423648D+01 -0.251676D+01  0.949050D-01 -0.285961D+01
      3  -0.460673D-01 -0.251676D+01  0.278499D+01 -0.551486D+00  0.290395D+01
               126           127           128           129           130 
      1  -0.551486D+00 -0.304344D+01  0.118120D+01  0.146337D+01  0.140470D+01
      2   0.290395D+01  0.118120D+01 -0.126212D+01 -0.105147D+01 -0.181791D+01
      3  -0.385701D+01  0.146337D+01 -0.105147D+01 -0.139935D+01 -0.127119D+01
               131           132           133           134           135 
      1  -0.181791D+01 -0.127119D+01  0.303998D+01 -0.191733D+01 -0.219313D+01
      2   0.295860D+01  0.139241D+01 -0.191733D+01  0.227994D+01  0.217886D+01
      3   0.139241D+01  0.189356D+01 -0.219313D+01  0.217886D+01  0.383672D+01
               136           137           138           139           140 
      1  -0.702918D+01 -0.187271D+01 -0.189258D+01 -0.402424D+01 -0.187645D+01
      2  -0.187271D+01 -0.152416D+01 -0.825686D+00 -0.187645D+01 -0.198239D+01
      3  -0.189258D+01 -0.825686D+00 -0.165005D+01 -0.137277D+01 -0.875948D+00
               141           142           143           144           145 
      1  -0.137277D+01 -0.226905D+01 -0.841733D+00 -0.194187D+01  0.360851D+01
      2  -0.875948D+00 -0.841733D+00 -0.798444D+00 -0.220287D+00 -0.225908D+01
      3  -0.843170D+00 -0.194187D+01 -0.220287D+00 -0.148206D+01  0.105602D+01
               146           147           148           149           150 
      1  -0.225908D+01  0.105602D+01 -0.214860D+01  0.164528D+01 -0.979025D+00
      2   0.275747D+01 -0.164196D+01  0.164528D+01 -0.381942D+01  0.150448D+01
      3  -0.164196D+01  0.186451D+01 -0.979025D+00  0.150448D+01 -0.101716D+01
               151           152           153           154           155 
      1   0.848524D+00 -0.907425D+00  0.892943D+00 -0.490589D+01 -0.328818D+01
      2  -0.907425D+00  0.103157D+01 -0.905829D+00 -0.328818D+01 -0.293293D+01
      3   0.892943D+00 -0.905829D+00  0.173084D+01  0.728306D-01 -0.194171D+00
               156           157           158           159           160 
      1   0.728306D-01 -0.312405D+01 -0.273512D+01 -0.289664D+00 -0.116597D+01
      2  -0.194171D+00 -0.273512D+01 -0.428816D+01  0.295209D-01 -0.102566D+01
      3  -0.122022D+01 -0.289664D+00  0.295209D-01 -0.566064D+00 -0.844596D+00
               161           162           163           164           165 
      1  -0.102566D+01 -0.844596D+00 -0.159230D+01 -0.123672D-01  0.173889D+01
      2  -0.124320D+01 -0.350720D+00 -0.123672D-01 -0.497803D+00 -0.561773D+00
      3  -0.350720D+00 -0.405985D+00  0.173889D+01 -0.561773D+00 -0.186402D+01
               166           167           168           169           170 
      1   0.737534D+00 -0.535968D+00 -0.119395D+01  0.190327D+01 -0.617826D+00
      2  -0.535968D+00  0.130733D+01  0.117737D+01 -0.617826D+00  0.129934D+01
      3  -0.119395D+01  0.117737D+01  0.289690D+01 -0.233968D+01  0.119351D+01
               171 
      1  -0.233968D+01
      2   0.119351D+01
      3   0.688324D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.590066D+00 -0.293624D+00  0.782167D+00 -0.469646D+01  0.319154D+01
      2   0.618093D+01 -0.186073D+01  0.614631D+01 -0.489336D+01  0.107375D+00
      3  -0.571835D+01 -0.397750D+01  0.140592D+01  0.772676D+01  0.311133D+01
                 6             7             8             9            10 
      1  -0.362351D+01  0.246642D+01  0.161757D+00 -0.378837D+01 -0.190609D+01
      2  -0.741385D+00 -0.571689D+01 -0.350561D+01 -0.255450D+01 -0.474901D-01
      3   0.246194D+01  0.382590D+01 -0.138505D+01  0.166044D+01  0.538259D+01
                11            12            13            14            15 
      1  -0.298012D+01 -0.943534D+00  0.204148D+01 -0.101516D+02 -0.277305D+01
      2   0.356309D+01 -0.793355D+01  0.786702D+01 -0.183093D+01 -0.108703D+01
      3   0.826554D+01 -0.300711D+01  0.727355D+01 -0.415095D+01  0.129152D+00
                16            17            18            19            20 
      1  -0.289344D+01  0.668658D+01  0.736767D+01  0.103749D+01  0.464842D+01
      2  -0.717991D+01  0.173891D+01 -0.354339D+01  0.245883D+01  0.154607D+01
      3  -0.704650D+01  0.494827D+01  0.728714D+00 -0.645461D+01 -0.166458D+02
                21            22            23            24            25 
      1  -0.145251D-01 -0.441071D+00  0.321929D+01 -0.189885D+01  0.265826D+01
      2   0.156744D+02 -0.413786D+00  0.273513D+01  0.358032D+00  0.391953D+01
      3  -0.168573D+01 -0.365729D+01 -0.142801D+01 -0.138995D+01  0.842536D+00
                26            27            28            29            30 
      1   0.199132D+01 -0.942754D+00  0.242600D+01 -0.152558D+01  0.199277D+01
      2   0.602749D-01  0.686251D+01  0.219721D+01 -0.435746D+01  0.516523D+00
      3  -0.402958D+01 -0.267184D+01 -0.143071D+01 -0.155129D+01  0.164551D+01
                31            32            33            34            35 
      1  -0.252013D+01  0.134083D+00  0.155111D+01  0.104544D+01  0.476003D+01
      2  -0.465511D+01  0.191851D+01 -0.182665D+01 -0.536344D+01 -0.324105D+00
      3   0.464313D+01  0.660432D+01 -0.563589D+00  0.310583D+01 -0.890385D+00
                36            37            38            39            40 
      1   0.110464D+01 -0.535453D+00 -0.850539D-01 -0.812089D+00  0.637279D+00
      2  -0.272130D+01 -0.956222D+00  0.553667D+01  0.713783D+01  0.520110D+01
      3   0.174684D+00 -0.501619D+01 -0.485446D+01 -0.430649D+01  0.438317D+01
                41            42            43            44            45 
      1   0.814061D+00 -0.303364D+01 -0.424845D-01  0.523941D+01 -0.123838D+01
      2   0.915842D+00 -0.410063D+01 -0.285803D+01 -0.366183D+01 -0.216268D+01
      3  -0.924097D+00 -0.330980D+00 -0.338003D+01 -0.259706D+00  0.548785D+01
                46            47            48            49            50 
      1  -0.142064D+01 -0.354954D+01  0.657864D+00 -0.341300D+01 -0.566472D+01
      2  -0.458111D+01  0.112459D+01 -0.248093D+01  0.544590D+00  0.256997D+01
      3   0.662464D+01  0.146633D+01  0.211175D+01  0.468670D+01 -0.159926D+00
                51            52            53            54            55 
      1  -0.116417D+02 -0.978797D+00 -0.318215D+01  0.957145D+01  0.264201D+01
      2   0.535520D+01 -0.553508D+01  0.293789D+01  0.193351D+01 -0.204202D+01
      3   0.146204D+01  0.120407D+00 -0.544720D+00 -0.555371D+01 -0.114984D+02
                56            57            58            59            60 
      1   0.864468D+00  0.887830D+00  0.193822D+01  0.522449D+01 -0.664760D+01
      2  -0.204767D+01  0.174511D+01 -0.368656D+00 -0.225022D+01  0.577593D+00
      3  -0.659127D+01 -0.123739D+01  0.204422D+01 -0.571260D+01  0.396965D+00
                61            62            63            64            65 
      1   0.826425D+00  0.656728D+00  0.442408D+01 -0.688000D+00  0.461907D-01
      2  -0.304742D+01  0.445120D-01 -0.110259D+01  0.782767D+00  0.776444D+00
      3  -0.409064D+01  0.151554D+01 -0.138167D+01 -0.937304D-01 -0.107490D+01
                66            67            68            69            70 
      1   0.213897D+00  0.186271D-01  0.251135D+00 -0.237521D+00  0.811073D+00
      2   0.276514D+00 -0.150544D+00  0.322972D+00  0.112873D+00 -0.414897D+01
      3   0.289084D+00  0.924533D+00 -0.334530D+00 -0.340439D+00  0.166326D+01
                71            72            73            74            75 
      1   0.317854D+01 -0.537605D+01 -0.924354D+00 -0.310184D+01 -0.290705D+01
      2  -0.410264D+00  0.292296D+01  0.155190D+01 -0.800874D+01 -0.216216D+01
      3  -0.497852D+00 -0.404230D+00  0.115597D+02  0.148237D+01  0.902035D+01
                76            77            78            79            80 
      1  -0.343853D+01 -0.271156D+00  0.127694D+01 -0.435410D+01  0.539311D+01
      2  -0.806962D+01 -0.313117D+01  0.106846D+02 -0.949858D+01  0.121037D+02
      3   0.991346D+01 -0.360581D+01  0.661764D+01  0.885476D+01  0.577161D+01
                81            82            83            84            85 
      1   0.213083D+01  0.540968D+01  0.463598D+01  0.599730D+01  0.569819D+01
      2   0.106581D+01  0.186162D+00 -0.131137D+02  0.325326D+01 -0.118237D+02
      3  -0.838301D+01  0.572681D+01 -0.906025D+01  0.728542D+01 -0.275642D+01
                86            87            88            89            90 
      1   0.419951D+01 -0.756590D+01  0.657510D+01 -0.104312D+01 -0.100965D+02
      2  -0.109362D+01  0.839578D+00 -0.312275D+01 -0.656765D-02  0.335891D+01
      3   0.235900D+01 -0.408407D+01  0.576816D+01 -0.332099D+01 -0.622163D+01
                91            92            93            94            95 
      1  -0.209216D+01  0.802209D+00 -0.612086D+00  0.219649D+01 -0.472697D+01
      2  -0.130335D+00  0.120507D+01 -0.919898D+00  0.320057D+01 -0.619396D+00
      3   0.222786D+00 -0.165030D+01  0.608618D+00 -0.701468D+00  0.177136D+01
                96            97            98            99           100 
      1   0.565992D+01 -0.132385D+01  0.635675D+01 -0.102102D+02  0.245293D+01
      2  -0.195336D+01 -0.464697D+01 -0.894068D+00  0.229408D+01 -0.276002D+01
      3  -0.153141D+01  0.998810D+00 -0.981268D+00  0.288878D+01  0.198329D+01
               101           102           103           104           105 
      1   0.271637D+01 -0.607913D+00  0.264912D+01  0.821091D+01 -0.859305D+00
      2  -0.220665D+01  0.129379D+01 -0.387519D+01 -0.235216D+01  0.130776D+00
      3  -0.169683D+00 -0.104688D+00  0.418043D+01 -0.211997D+01 -0.351528D+00
               106           107           108           109           110 
      1  -0.557766D+00  0.105051D+01 -0.184169D+00 -0.150603D+01 -0.483863D+00
      2  -0.588525D+00 -0.438023D+00 -0.847610D+00  0.158554D+01  0.144114D+01
      3   0.453501D+00  0.118302D+00  0.120614D+01  0.111880D+02  0.388546D+01
               111           112           113           114           115 
      1  -0.222426D+01 -0.931384D+00 -0.381923D+00 -0.152502D+01 -0.119532D+01
      2   0.164608D+01  0.854019D+00  0.104975D+01  0.822593D+00 -0.585652D-01
      3   0.422839D+00  0.453391D+01  0.397017D+01 -0.170909D-01  0.145506D+01
               116           117           118           119           120 
      1  -0.353407D+00  0.914252D-01  0.239489D+00 -0.248553D+00 -0.161874D+00
      2   0.674874D+00  0.355706D+00  0.233807D+01  0.143690D+01 -0.878721D+00
      3   0.169539D+00  0.771611D+00  0.167051D+01  0.109790D+01 -0.179220D+01
               121           122           123           124           125 
      1   0.207686D+00 -0.764222D+00 -0.311279D+01  0.298940D+00  0.551403D+00
      2   0.185497D+01  0.592559D+01 -0.715444D+01 -0.180576D+01 -0.691964D+01
      3   0.193707D+01  0.101900D+02 -0.650094D+01 -0.243965D+01 -0.714496D+01
               126           127           128           129           130 
      1   0.297775D+01 -0.182781D+01  0.104144D+01  0.233657D+01  0.171630D+01
      2   0.893351D+01 -0.411108D+01  0.332987D+01  0.550546D+01  0.298098D+01
      3   0.664280D+01  0.180766D+00 -0.352772D+01 -0.162811D+01 -0.185089D+01
               131           132           133           134           135 
      1  -0.148524D+01 -0.380953D+01  0.228005D+01 -0.749685D+00 -0.546701D+01
      2  -0.414261D+01 -0.610322D+01  0.407762D+01 -0.591902D+01 -0.112734D+02
      3   0.631922D+01  0.250996D+01 -0.154092D+01  0.514039D+01  0.404127D+01
               136           137           138           139           140 
      1   0.217182D+01  0.196337D+01  0.988908D+00  0.148189D+01  0.219766D+01
      2   0.180392D+01  0.136290D+01  0.546826D+01  0.154888D+01  0.156090D+01
      3  -0.926600D+01 -0.763498D+01 -0.369637D+01 -0.577222D+01 -0.787404D+01
               141           142           143           144           145 
      1  -0.367354D+00  0.158583D+01  0.162947D+01  0.606589D+00 -0.204485D+01
      2   0.269837D+01  0.251492D+01  0.264207D+00  0.337254D+01 -0.859065D+01
      3  -0.311725D+01 -0.359389D+01 -0.350463D+01 -0.190765D+01 -0.996154D+01
               146           147           148           149           150 
      1   0.236019D+01  0.122896D+01  0.118895D+01 -0.367466D+01 -0.841111D+00
      2   0.534539D+01 -0.204439D+01  0.528407D+01 -0.439024D+01  0.216707D+01
      3   0.512549D+01 -0.308440D+01  0.723060D+01 -0.640030D+01  0.322722D+01
               151           152           153           154           155 
      1   0.265739D-01  0.140824D+01  0.120537D+01 -0.477211D+01 -0.443501D+01
      2  -0.356589D+01  0.266198D+01 -0.309032D+01  0.614255D+01  0.467078D+01
      3  -0.280796D+01  0.229420D+01 -0.246594D+01  0.249323D+01 -0.206107D+01
               156           157           158           159           160 
      1  -0.352677D+01 -0.441956D+01 -0.576306D+01 -0.261135D+01 -0.227015D+01
      2   0.409924D+01  0.497707D+01  0.386673D+01  0.237186D+01  0.171966D+01
      3  -0.984398D-01  0.200291D+01 -0.363325D+01  0.498281D+00  0.515139D+00
               161           162           163           164           165 
      1  -0.850145D+00 -0.169917D+01  0.192814D+01 -0.237545D+01 -0.327615D+01
      2   0.155373D+01  0.225403D+01  0.697277D-01  0.857244D+00  0.177301D+01
      3  -0.980615D+00  0.557798D+00  0.136256D+01 -0.182489D+01 -0.275198D+01
               166           167           168           169           170 
      1  -0.199279D+01  0.483962D+01  0.394410D+01 -0.391368D+01  0.641562D+01
      2  -0.632715D-01 -0.116242D+01 -0.315178D+01 -0.146354D+01 -0.100850D+01
      3  -0.373532D+00  0.306572D+01  0.299838D+01 -0.270376D+01  0.358191D+01
               171 
      1   0.101262D+02
      2  -0.813216D+01
      3   0.482957D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.839825D+01 -0.214637D+01 -0.377965D+01  0.237626D+01 -0.969646D+01
      2  -0.380215D+01  0.721372D+00 -0.137280D+00 -0.263113D+01  0.158789D+02
      3  -0.459610D+01  0.142499D+01  0.391693D+01  0.254872D+00 -0.618246D+01
      4  -0.659754D+01  0.139216D+02  0.386201D+01  0.770839D+01 -0.704272D+01
      5  -0.662774D+01  0.463967D+01  0.128229D+02  0.391205D+01 -0.462974D+01
      6   0.340170D+01  0.531070D+00 -0.131401D+01 -0.150975D+01  0.837637D+01
                 6             7             8             9            10 
      1  -0.488105D+01  0.229061D+01 -0.444811D+01 -0.982700D+01 -0.486615D+02
      2   0.205408D+01  0.360714D+00  0.238417D+01 -0.311797D+01  0.279878D+02
      3   0.282696D+01 -0.265132D+01  0.206394D+01  0.129450D+02  0.206737D+02
      4  -0.245102D+01  0.353863D+01  0.245711D+01 -0.365116D+01 -0.440004D+01
      5   0.850909D+00  0.725084D+01 -0.386624D+01 -0.397444D+01 -0.177300D+02
      6   0.794412D+01 -0.103561D+01  0.950433D+01  0.835432D+01  0.336361D+01
                11            12            13            14            15 
      1  -0.128984D+01 -0.988222D+01 -0.671199D+01  0.930821D+00  0.791049D+01
      2  -0.431464D+01  0.794357D+01  0.289658D+01 -0.127915D+01 -0.137351D+01
      3   0.560448D+01  0.193865D+01  0.381541D+01  0.348326D+00 -0.653698D+01
      4  -0.128743D+02  0.120526D+01  0.335771D+01 -0.326891D+01  0.603375D+00
      5   0.682021D+00 -0.170183D+02 -0.246186D+01  0.242824D-01 -0.202925D+01
      6  -0.446982D+01  0.189468D+01 -0.340822D+00 -0.543136D+01  0.622734D+00
                16            17            18            19            20 
      1  -0.150295D+02  0.683265D+01 -0.126402D+01  0.999385D+02  0.274020D+01
      2   0.734357D+01 -0.700459D+01  0.847708D+00 -0.543549D+02  0.205447D+01
      3   0.768593D+01  0.171944D+00  0.416316D+00 -0.455836D+02 -0.479467D+01
      4  -0.213164D+01 -0.695500D+01  0.134690D+01  0.656948D+00  0.227542D+02
      5  -0.199123D+01  0.291706D+01 -0.672985D+01  0.237032D+02 -0.592946D+00
      6   0.198721D+01 -0.190448D+01 -0.459344D+01 -0.536770D+01  0.244627D+01
                21            22            23            24            25 
      1   0.161232D+02  0.308756D+01  0.102721D+02 -0.174643D+01  0.118120D+02
      2  -0.118966D+02 -0.272402D+01 -0.760594D+00  0.556699D+00 -0.986108D+01
      3  -0.422663D+01 -0.363547D+00 -0.951149D+01  0.118973D+01 -0.195092D+01
      4  -0.971902D+00  0.224215D+02  0.144524D+01  0.567982D+01 -0.853035D+00
      5   0.270883D+02 -0.102354D+01  0.460134D+01  0.628764D+00  0.277840D+02
      6  -0.278709D+01  0.343131D+01 -0.460204D+00  0.499966D+01 -0.253071D+01
                26            27            28            29            30 
      1  -0.835117D+00  0.128847D+02 -0.736315D+01  0.481264D+01  0.238575D+01
      2   0.785507D+00 -0.136113D+02  0.479151D+01 -0.518700D+01 -0.112156D+01
      3   0.496093D-01  0.726660D+00  0.257163D+01  0.374361D+00 -0.126418D+01
      4   0.568405D+01 -0.116945D+01  0.121155D+01 -0.281821D+00 -0.234992D+00
      5  -0.168756D+00  0.172019D+02  0.242246D+01  0.142294D+00 -0.549729D+00
      6   0.501385D+01 -0.195862D+01  0.144339D+01 -0.507096D+00 -0.236653D+01
                31            32            33            34            35 
      1  -0.498530D+01  0.730571D+01 -0.688743D+01 -0.675247D+00 -0.828727D+01
      2   0.318180D+01 -0.134081D+02  0.543557D+01  0.252811D+00  0.153249D+02
      3   0.180351D+01  0.610238D+01  0.145186D+01  0.422436D+00 -0.703766D+01
      4  -0.336267D+01 -0.241106D+01  0.172868D+01 -0.927931D+00 -0.774241D+00
      5  -0.487427D+00  0.492808D+00 -0.395708D+01 -0.234547D+01 -0.104133D+01
      6   0.147869D+01  0.245651D+01 -0.264956D+01 -0.112686D+00 -0.206669D+01
                36            37            38            39            40 
      1   0.100194D+02  0.169557D+01  0.905029D+01 -0.495372D+01  0.138988D+02
      2   0.105701D+02 -0.862322D+00 -0.211720D+01  0.325755D+01 -0.413391D+01
      3  -0.205895D+02 -0.833248D+00 -0.693309D+01  0.169617D+01 -0.976491D+01
      4   0.663940D+00  0.126388D+02 -0.348493D+00  0.573792D+01 -0.430835D+00
      5  -0.570356D+01 -0.534851D+01  0.626252D+01  0.232591D+01  0.108059D+02
      6  -0.110581D+02 -0.288381D+01  0.507907D+01  0.745225D+00  0.373896D+01
                41            42            43            44            45 
      1   0.671932D+00  0.745832D+01 -0.337847D+01  0.704744D+01  0.378910D+01
      2   0.290917D+01 -0.454741D+01  0.139033D+01 -0.208454D+01 -0.635151D+01
      3  -0.358110D+01 -0.291091D+01  0.198814D+01 -0.496290D+01  0.256241D+01
      4  -0.255814D+00  0.327745D+01  0.918745D+01  0.243220D+01 -0.906999D+01
      5   0.406219D+01 -0.965339D+01  0.382986D+01 -0.977552D+01  0.281941D+01
      6   0.469963D+01 -0.557757D+01 -0.237556D+01 -0.568023D+01  0.362397D+01
                46            47            48            49            50 
      1  -0.394491D+01  0.439032D+01  0.823665D+01  0.310565D+01  0.729821D+01
      2  -0.857625D+00 -0.818342D+01 -0.620940D+00 -0.785275D+01 -0.118554D+02
      3   0.480254D+01  0.379310D+01 -0.761571D+01  0.474711D+01  0.455724D+01
      4  -0.235425D+01 -0.117070D+02 -0.353771D+01 -0.691748D+01 -0.878658D+01
      5   0.333325D+01 -0.549681D+01 -0.708704D+01 -0.497723D+01 -0.722623D+01
      6   0.726436D+00 -0.101228D+02 -0.592851D+01 -0.879295D+01 -0.119779D+02
                51            52            53            54            55 
      1  -0.803286D+01  0.659565D+01 -0.615875D+01  0.726898D+01  0.364736D+01
      2  -0.114656D+02 -0.195533D+01 -0.774135D+01  0.108399D+02 -0.717821D+01
      3   0.194984D+02 -0.464032D+01  0.139001D+02 -0.181089D+02  0.353085D+01
      4  -0.541244D+01 -0.162036D+01 -0.231598D+01  0.131331D+01 -0.164431D+02
      5   0.472190D+01 -0.281853D+01  0.167166D+01 -0.569175D+01 -0.168395D+01
      6  -0.259805D+01 -0.274046D+01 -0.566837D+00  0.690349D+01 -0.382375D+01
                56            57            58            59            60 
      1   0.175391D+01 -0.352482D+00  0.323830D+01 -0.207663D+02  0.661022D+01
      2  -0.880548D+01  0.642733D+00 -0.571210D+01  0.316075D+02 -0.339765D+01
      3   0.705157D+01 -0.290251D+00  0.247380D+01 -0.108412D+02 -0.321257D+01
      4  -0.464533D+01 -0.285668D+01  0.297459D+00 -0.361231D+01 -0.206105D+01
      5  -0.646552D+00  0.339851D+01 -0.291465D+00 -0.127579D+01  0.195383D+01
      6  -0.184379D+01 -0.779451D+00 -0.174996D+01 -0.555921D+01  0.823033D+01
                61            62            63            64            65 
      1  -0.863324D+00  0.850409D+01 -0.874024D+01  0.255107D-01 -0.515025D+00
      2  -0.698982D+00 -0.136454D+02  0.310545D+01 -0.321405D+01 -0.103150D+00
      3   0.156231D+01  0.514136D+01  0.563479D+01  0.318854D+01  0.618174D+00
      4  -0.532276D+01 -0.407200D+01  0.513459D+00 -0.344493D+00  0.248563D+01
      5   0.327113D+01  0.200507D+01 -0.225478D+01  0.109531D+01  0.136244D+01
      6  -0.831373D+00  0.112617D+02 -0.598351D+01  0.230408D+01  0.240616D+00
                66            67            68            69            70 
      1   0.382789D+00  0.109794D+00 -0.579481D+01 -0.387243D+01  0.562561D+00
      2  -0.618221D+00 -0.161373D+00  0.283611D+01  0.120618D+01 -0.518544D+00
      3   0.235433D+00  0.515798D-01  0.295870D+01  0.266625D+01 -0.440169D-01
      4   0.251892D+01  0.173489D+01  0.616845D+00  0.313938D+00  0.177333D+01
      5   0.660913D+01  0.776783D+00  0.552050D+00  0.736307D+00  0.580823D+01
      6   0.680470D+00  0.297078D+00  0.505017D+01  0.845546D+01  0.796098D+00
                71            72            73            74            75 
      1  -0.517335D+01 -0.191895D+02 -0.125202D+02 -0.176190D+02 -0.412732D+01
      2   0.108910D+01 -0.148259D+02  0.111404D+02  0.112779D+02  0.645129D+01
      3   0.408426D+01  0.340154D+02  0.137983D+01  0.634111D+01 -0.232398D+01
      4   0.963271D+00  0.344025D+00 -0.181372D+02 -0.984781D+00 -0.168625D+02
      5   0.109734D+01  0.528367D+01 -0.187652D+01 -0.187310D+02 -0.925265D+01
      6   0.799728D+01  0.170706D+02 -0.559044D+01  0.398460D+01  0.657419D+00
                76            77            78            79            80 
      1  -0.226291D+02 -0.557922D+00 -0.211039D+02 -0.440540D+01 -0.195912D+02
      2   0.143363D+02  0.708849D+00  0.107807D+02  0.691290D+01  0.893720D+01
      3   0.829280D+01 -0.150927D+00  0.103233D+02 -0.250749D+01  0.106540D+02
      4  -0.426216D+01  0.404196D+01 -0.118906D+01 -0.195691D+02  0.122247D+01
      5  -0.223757D+02 -0.414445D+01  0.140853D+02 -0.128142D+02  0.161464D+02
      6   0.338126D+01  0.193557D+01 -0.973249D+01  0.380416D+01 -0.103173D+02
                81            82            83            84            85 
      1  -0.265458D+01  0.386967D+01 -0.202201D+02  0.435988D+01 -0.201386D+02
      2  -0.208289D+01 -0.108475D+02  0.209039D+01 -0.119467D+02 -0.364164D+00
      3   0.473747D+01  0.697781D+01  0.181297D+02  0.758679D+01  0.205028D+02
      4   0.168160D+02 -0.133865D+02 -0.145746D+02 -0.534540D+01 -0.151110D+02
      5   0.419493D+01  0.674700D+00  0.866298D+00 -0.512229D+01 -0.152099D+01
      6  -0.251112D+00  0.796273D+01 -0.758699D+01  0.663500D+01 -0.716122D+01
                86            87            88            89            90 
      1  -0.224871D+01 -0.308275D+01  0.174433D+01 -0.405833D+01 -0.230103D+01
      2  -0.420468D+01  0.106337D+02 -0.124373D+02  0.818233D+01  0.155384D+02
      3   0.645339D+01 -0.755093D+01  0.106930D+02 -0.412400D+01 -0.132374D+02
      4  -0.478458D+01 -0.766857D+01 -0.919337D+01 -0.106875D+02  0.973217D+01
      5  -0.335087D+01  0.187994D+02 -0.644453D+01  0.163543D+02  0.965948D+01
      6  -0.816298D+00  0.535387D+01  0.720594D+01  0.620733D+01 -0.836148D+01
                91            92            93            94            95 
      1  -0.651689D+00 -0.661912D+00  0.884081D-01 -0.730852D+00 -0.518502D+01
      2  -0.426951D+01  0.137529D+01 -0.174003D+01  0.257455D+01 -0.117976D+01
      3   0.492120D+01 -0.713375D+00  0.165163D+01 -0.184370D+01  0.636478D+01
      4  -0.184887D+00  0.219300D+01  0.758112D+00  0.162647D+01  0.135683D+00
      5   0.195856D+01 -0.129463D+01  0.852243D+01 -0.278610D+01  0.249442D+01
      6  -0.849134D+00  0.118947D+01  0.591754D+00  0.276098D+01 -0.315146D+01
                96            97            98            99           100 
      1   0.762662D+01 -0.202659D+01  0.307432D+01 -0.218757D+02  0.377233D+00
      2   0.887336D+01 -0.180654D+01  0.478016D+01 -0.206105D+02  0.468223D+01
      3  -0.165000D+02  0.383313D+01 -0.785448D+01  0.424861D+02 -0.505946D+01
      4   0.211862D+01  0.797983D+00  0.163991D+01 -0.117406D+01  0.911758D+01
      5  -0.414577D+01  0.722916D+01 -0.952027D+00  0.862544D+01  0.527587D+01
      6   0.610514D+01  0.182659D-01  0.599087D+01  0.103855D+00  0.582068D+01
               101           102           103           104           105 
      1  -0.305809D+01 -0.201141D+01 -0.331998D+01 -0.184791D+02 -0.710406D+01
      2   0.680061D+01  0.101034D+01  0.682864D+01  0.290392D+02  0.727399D+01
      3  -0.374251D+01  0.100107D+01 -0.350866D+01 -0.105601D+02 -0.169932D+00
      4   0.119884D+02  0.433263D+01  0.111325D+02  0.156727D+02  0.517809D+01
      5   0.619470D+01  0.504340D+01  0.535942D+01  0.663191D+01  0.404501D+01
      6   0.743107D+01  0.548120D+01  0.651745D+01  0.220695D+02  0.129595D+02
               106           107           108           109           110 
      1  -0.246380D+01 -0.368410D+01 -0.620132D+01  0.184428D+01 -0.293784D+01
      2   0.281508D+00  0.231760D+01  0.194814D+01  0.897807D+01  0.136545D+02
      3   0.218230D+01  0.136650D+01  0.425318D+01 -0.108224D+02 -0.107167D+02
      4   0.145791D+01  0.244674D+01  0.328198D+01  0.212169D+02  0.185174D+02
      5   0.262867D+01  0.292841D+01  0.338520D+01 -0.168276D+00 -0.200911D+00
      6   0.366760D+01  0.896578D+01  0.611996D+01  0.179553D+01  0.909572D+00
               111           112           113           114           115 
      1   0.150969D+00 -0.183452D+01 -0.495354D+01 -0.210800D+00 -0.252866D+00
      2  -0.515916D+00  0.833352D+01  0.141735D+02  0.418851D+00  0.115468D+01
      3   0.364948D+00 -0.649900D+01 -0.921998D+01 -0.208052D+00 -0.901811D+00
      4   0.402961D+00  0.121729D+02  0.119908D+02  0.221116D+00  0.260982D+01
      5   0.197545D+01 -0.268890D+00  0.206396D+00  0.797981D+00  0.277110D+01
      6   0.307181D+01  0.774979D+00  0.122908D+01  0.250742D+01  0.332308D+01
               116           117           118           119           120 
      1  -0.108938D+01 -0.981846D+00 -0.171668D+01 -0.172629D+01  0.416824D+01
      2   0.214065D+01  0.121570D+01  0.834406D+00  0.917870D+00 -0.158015D+01
      3  -0.105127D+01 -0.233856D+00  0.882274D+00  0.808423D+00 -0.258809D+01
      4   0.239308D+01  0.308155D+01  0.101551D+01  0.142555D+01 -0.434028D-01
      5   0.190725D+01  0.500253D+00  0.151269D+01  0.826220D+00  0.115807D+01
      6   0.421068D+01  0.482586D+00 -0.167281D+01 -0.105878D+01  0.865754D+00
               121           122           123           124           125 
      1  -0.325048D+01 -0.904242D+01  0.866270D+01  0.616995D+01  0.881292D+01
      2   0.103036D+01  0.121519D+02 -0.583328D+01 -0.314640D+01 -0.611194D+01
      3   0.222012D+01 -0.310951D+01 -0.282941D+01 -0.302355D+01 -0.270097D+01
      4   0.643104D+01 -0.164194D+02  0.943934D+01 -0.290859D+01  0.107246D+02
      5  -0.868394D+00  0.100220D+02 -0.119836D+02  0.579024D+01 -0.117097D+02
      6   0.749892D+00 -0.117667D+02  0.117043D+02 -0.138981D+01  0.121502D+02
               126           127           128           129           130 
      1  -0.876985D+01  0.165826D+02 -0.488825D+01 -0.680894D+01 -0.517522D+01
      2   0.896732D+00 -0.717995D+01 -0.474227D+00  0.182489D+01 -0.117316D+01
      3   0.787311D+01 -0.940266D+01  0.536248D+01  0.498405D+01  0.634838D+01
      4  -0.109792D+02 -0.103907D+02  0.103303D+02  0.832914D+01  0.132559D+02
      5   0.148143D+02 -0.903300D+01  0.715305D+01  0.107873D+02  0.804672D+01
      6  -0.125026D+02  0.417884D+01 -0.275570D+01 -0.308045D+01 -0.375620D+01
               131           132           133           134           135 
      1   0.212825D+01  0.321785D+01 -0.127969D+02  0.447705D+01  0.364455D+01
      2   0.557082D+01  0.130604D+01  0.508363D+01  0.160423D+01 -0.282300D+01
      3  -0.769907D+01 -0.452388D+01  0.771331D+01 -0.608128D+01 -0.821553D+00
      4  -0.166647D+02 -0.887509D+01  0.139490D+02 -0.135878D+02 -0.125711D+02
      5  -0.800364D+01 -0.103105D+02  0.151200D+02 -0.118457D+02 -0.216337D+02
      6   0.611428D+01  0.780407D+01 -0.561882D+01  0.862014D+01  0.102181D+02
               136           137           138           139           140 
      1   0.463339D+02  0.121587D+02  0.115717D+02  0.232988D+02  0.921289D+01
      2  -0.273144D+02 -0.806493D+01 -0.914303D+01 -0.139597D+02 -0.488757D+01
      3  -0.190194D+02 -0.409379D+01 -0.242867D+01 -0.933910D+01 -0.432532D+01
      4   0.878277D+01  0.100941D+02  0.400802D+01  0.121780D+02  0.122061D+02
      5   0.165503D+02  0.612992D+01  0.131547D+02  0.104805D+02  0.582448D+01
      6   0.155073D+01  0.105551D+01  0.270100D+00  0.194159D+01  0.261132D+01
               141           142           143           144           145 
      1   0.655606D+01  0.128804D+02  0.448466D+01  0.780331D+01 -0.942236D+01
      2  -0.554217D+01 -0.102139D+02 -0.369202D+01 -0.712960D+01  0.783489D+01
      3  -0.101389D+01 -0.266653D+01 -0.792640D+00 -0.673709D+00  0.158747D+01
      4   0.437860D+01  0.410185D+01  0.398524D+01  0.136034D+01 -0.697028D+01
      5   0.673341D+01  0.147673D+02  0.276585D+01  0.100700D+02  0.839614D+01
      6   0.328667D+01  0.448510D+00  0.353868D+01  0.106460D+01 -0.716216D+01
               146           147           148           149           150 
      1   0.132338D+02 -0.837219D+01  0.104874D+02 -0.149052D+02  0.801161D+01
      2  -0.110330D+02  0.309842D+01 -0.808315D+01  0.171281D+02 -0.543713D+01
      3  -0.220086D+01  0.527377D+01 -0.240421D+01 -0.222293D+01 -0.257448D+01
      4   0.463302D+01 -0.735618D+00  0.641025D+01 -0.730099D-01  0.769734D+00
      5  -0.343761D+01  0.238310D+01 -0.409302D+01  0.232287D+01 -0.201984D+01
      6   0.101960D+02 -0.887301D+01  0.657212D+01 -0.132461D+02  0.875896D+01
               151           152           153           154           155 
      1  -0.509263D+01  0.704597D+01 -0.769852D+01  0.207471D+02  0.950148D+01
      2   0.257358D+01 -0.393828D+01  0.564845D-01 -0.119487D+01  0.545752D+01
      3   0.251905D+01 -0.310769D+01  0.764203D+01 -0.195522D+02 -0.149590D+02
      4  -0.858849D+00  0.145148D+01 -0.190483D+01  0.253406D+02  0.215438D+02
      5   0.397105D+01 -0.216669D+01 -0.910623D-02 -0.752107D+01 -0.497581D+01
      6  -0.553455D+01  0.779484D+01 -0.693691D+01 -0.422369D+01 -0.372345D+01
               156           157           158           159           160 
      1   0.175727D+01  0.901664D+01  0.183962D+01  0.153492D+01  0.518878D+01
      2   0.248705D+01  0.555543D+01  0.141724D+02  0.500656D+00  0.143730D+01
      3  -0.424432D+01 -0.145721D+02 -0.160120D+02 -0.203557D+01 -0.662607D+01
      4   0.567925D+00  0.206452D+02  0.233210D+02  0.915022D+00  0.628341D+01
      5   0.629699D+01 -0.489357D+01 -0.380419D+01  0.199048D+01  0.394484D+01
      6   0.356033D+01 -0.314363D+01 -0.607811D+01  0.411571D+01  0.220176D+01
               161           162           163           164           165 
      1   0.163979D+01  0.246342D+01  0.446735D+01  0.215797D+00 -0.340207D+01
      2   0.281900D+01 -0.777031D+00 -0.699717D+01  0.253582D+01  0.983710D+01
      3  -0.445880D+01 -0.168639D+01  0.252982D+01 -0.275162D+01 -0.643503D+01
      4   0.639280D+01  0.368436D+01  0.132411D+01  0.413967D+01  0.723150D-01
      5   0.108589D+01  0.949816D+00 -0.107823D+02  0.232415D+01  0.136950D+02
      6   0.241648D+01  0.246907D+01 -0.974245D+00 -0.994899D+00  0.675318D+00
               166           167           168           169           170 
      1  -0.124037D+01 -0.436930D+00 -0.147171D+01 -0.302699D+01  0.602074D+00
      2   0.485275D+01 -0.378752D+01 -0.983372D+01  0.110796D+02 -0.695141D+01
      3  -0.361238D+01  0.422445D+01  0.113054D+02 -0.805266D+01  0.634933D+01
      4   0.344706D+01 -0.401530D+01 -0.281541D+01 -0.313764D+00 -0.340048D+01
      5   0.666688D+01 -0.479985D+01 -0.112438D+02  0.149826D+02 -0.525736D+01
      6  -0.103861D+01  0.515195D+01  0.394090D+01  0.812803D+00  0.547364D+01
               171 
      1  -0.919060D+01
      2  -0.245097D+02
      3   0.337003D+02
      4  -0.161825D+01
      5  -0.273560D+02
      6  -0.355785D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.138885D+01      0.353011D+01      0.117752D+02
   x         -0.138051D+01     -0.350890D+01     -0.117044D+02
   y          0.120940D+00      0.307399D+00      0.102537D+01
   z          0.920778D-01      0.234038D+00      0.780668D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.775835D+02      0.114967D+02      0.127918D+02
   aniso      0.170392D+02      0.252495D+01      0.280938D+01
   xx         0.873560D+02      0.129448D+02      0.144031D+02
   yx         0.237664D+01      0.352182D+00      0.391856D+00
   yy         0.740382D+02      0.109713D+02      0.122073D+02
   zx         0.408341D+01      0.605099D+00      0.673264D+00
   zy         0.101509D+01      0.150421D+00      0.167366D+00
   zz         0.713563D+02      0.105739D+02      0.117651D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.825255D+02      0.122290D+02      0.136066D+02
   aniso      0.175505D+02      0.260072D+01      0.289369D+01
   xx         0.927351D+02      0.137419D+02      0.152899D+02
   yx         0.209585D+01      0.310574D+00      0.345560D+00
   yy         0.786102D+02      0.116488D+02      0.129611D+02
   zx         0.415115D+01      0.615137D+00      0.684433D+00
   zy         0.120703D+01      0.178863D+00      0.199012D+00
   zz         0.762311D+02      0.112963D+02      0.125688D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -1.55437010         -1.74497195         -2.18063241
     6          0.37768643         -0.15391781         -2.68318866
     8          1.24977350          0.13306867         -4.75163775
     6          1.11616825          1.25650837         -0.26329880
     6         -0.00310995         -0.40101639          1.83007081
     6         -2.29324872         -1.53288588          0.43907627
     8         -0.07542417          3.66815660         -0.31080882
     1          3.16790422          1.44562121         -0.12806063
     6         -0.76986026          1.03577573          4.20354551
     6          1.89345626         -2.49931554          2.46239409
     1         -3.94135709         -0.29897836          0.54428798
     1         -2.79563854         -3.41649324          1.09591365
     1          0.43444072          4.51892883         -1.84140311
     1         -2.05346140          2.58054691          3.76304098
     1          0.88550229          1.82725366          5.14449394
     1         -1.70058522         -0.23901202          5.53418525
     1          2.44070756         -3.57130167          0.78601799
     1          1.07255014         -3.82032819          3.81599103
     1          3.60355101         -1.70715325          3.29857708

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.138885D+01      0.353011D+01      0.117752D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.138885D+01      0.353011D+01      0.117752D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.775835D+02      0.114967D+02      0.127918D+02
   aniso      0.170392D+02      0.252495D+01      0.280938D+01
   xx         0.722483D+02      0.107061D+02      0.119121D+02
   yx         0.179840D+01      0.266495D+00      0.296516D+00
   yy         0.742555D+02      0.110035D+02      0.122431D+02
   zx        -0.524639D+01     -0.777434D+00     -0.865012D+00
   zy        -0.295332D+01     -0.437636D+00     -0.486936D+00
   zz         0.862468D+02      0.127805D+02      0.142202D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.825255D+02      0.122290D+02      0.136066D+02
   aniso      0.175505D+02      0.260072D+01      0.289369D+01
   xx         0.771613D+02      0.114341D+02      0.127222D+02
   yx         0.194779D+01      0.288632D+00      0.321146D+00
   yy         0.787557D+02      0.116704D+02      0.129851D+02
   zx        -0.531341D+01     -0.787366D+00     -0.876063D+00
   zy        -0.272764D+01     -0.404194D+00     -0.449727D+00
   zz         0.916594D+02      0.135825D+02      0.151126D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-32\Freq\RM11\Gen\C6H10O3\PIERPA\08-Jul-2021\0\\#P M11
 /Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=Re
 ad Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\O,1.011671,-1.084086
 ,-0.813691\C,1.419413,-0.188289,0.11162\O,2.553619,-0.095356,0.484544\
 C,0.235828,0.696,0.519965\C,-0.979961,-0.126503,0.081048\C,-0.385884,-
 0.883675,-1.120205\O,0.318123,1.909739,-0.219607\H,0.252519,0.889728,1
 .595205\C,-2.196472,0.704842,-0.3052\C,-1.329021,-1.118373,1.197513\H,
 -0.452245,-0.30131,-2.040275\H,-0.831807,-1.864662,-1.27462\H,1.179565
 ,2.308118,-0.044321\H,-1.948274,1.44105,-1.06701\H,-2.593106,1.235162,
 0.562058\H,-2.987301,0.056387,-0.689334\H,-0.472039,-1.73535,1.475951\
 H,-2.129645,-1.78534,0.874079\H,-1.668393,-0.59017,2.089853\\Version=E
 S64L-G16RevA.03\State=1-A\HF=-460.5536442\RMSD=4.539e-09\RMSF=6.184e-0
 6\ZeroPoint=0.1585591\Thermal=0.1675775\Dipole=-1.3805093,0.1209401,0.
 0920778\DipoleDeriv=-0.9821858,-0.0204839,-0.2090157,-0.3536475,-0.603
 4388,-0.4183976,-0.4871547,-0.3827872,-0.6850463,1.6284229,0.1028955,0
 .4007639,0.2731679,0.727274,0.5409819,0.6717991,0.5217763,0.8037365,-1
 .3303561,-0.0790426,-0.325308,0.0048698,-0.4534815,-0.0865899,-0.25076
 67,-0.1166131,-0.5074497,0.1228138,0.179391,-0.0323302,0.201908,0.5459
 862,-0.1673848,-0.0168744,-0.1685038,0.3882369,0.0622732,-0.0888991,-0
 .0378875,0.0103717,0.038087,-0.0532476,-0.0002185,-0.0938278,0.0314509
 ,0.6882688,0.0662073,0.1740752,-0.0444812,0.2930189,-0.0132309,0.07281
 39,0.0241923,0.2984652,-0.3855489,-0.0667449,0.1301035,-0.0770239,-0.8
 726044,0.1358877,0.129625,0.1354158,-0.4749444,0.031354,0.0012734,-0.0
 016832,-0.0103456,-0.0155096,-0.0173799,0.0044341,0.0093495,-0.1427832
 ,0.0472459,0.0329294,-0.0004236,0.0153968,0.0444212,0.0445527,0.003452
 9,0.0533839,0.0594066,0.0503094,0.0039221,0.0060965,0.0254032,0.036850
 5,0.0528758,-0.0054071,0.0451613,0.0420903,-0.0266994,-0.0215045,-0.00
 76715,0.0346419,0.0193473,0.1060136,-0.0317344,0.0510894,-0.090471,-0.
 0226832,-0.0555395,-0.0393642,-0.0685709,-0.084351,-0.0510365,-0.01293
 11,0.0042095,0.0596746,0.1770755,-0.0266929,-0.058084,0.005163,0.34218
 98,0.0252998,-0.0727474,0.0118911,0.2741152,0.0618423,-0.0142436,0.041
 9946,0.0177108,-0.0043614,0.0768652,0.0119204,0.0881147,-0.0232795,0.0
 138951,0.0347156,0.0193913,0.062898,0.024172,-0.054955,0.074249,-0.088
 3934,-0.0691027,-0.0708839,-0.0508094,-0.0477249,-0.1080715,-0.0268539
 ,-0.0582649,-0.0673656,-0.034206,0.046636,-0.057424,0.0961408,-0.04830
 82,0.0691172,0.0028293,0.0413388,-0.0274402,0.0291865,0.041465,-0.0478
 505,-0.1043323,-0.0188099,-0.0904118,-0.0092631,-0.0072376,-0.0621476,
 -0.0496922,0.022552,0.040131,0.0108178,0.0541858,0.031904,-0.0043125,-
 0.0960909,0.0664933,-0.0397469,-0.0747524\Polar=87.3560395,2.3766444,7
 4.03821,4.0834117,1.0150904,71.3563145\Quadrupole=-4.4669186,2.0097535
 ,2.457165,4.2566509,-0.4147602,0.7244176\PG=C01 [X(C6H10O3)]\NImag=0\\
 0.37979774,-0.01629195,0.25071794,0.08703009,0.16560898,0.24811391,-0.
 09593717,0.03540479,0.01893162,0.99320350,-0.00925619,-0.16129571,-0.1
 0459195,-0.01036795,0.37796135,-0.02178335,-0.08998069,-0.14132308,0.1
 8702567,0.13197344,0.39461641,-0.04049112,-0.04349952,-0.05176716,-0.7
 0588806,-0.01113750,-0.17322904,0.78408591,-0.05021662,0.00417265,-0.0
 2162253,-0.02388411,-0.08981785,-0.02174912,0.04978365,0.06926148,-0.0
 5958411,-0.01941468,-0.01962839,-0.18075323,-0.02119517,-0.13738220,0.
 23901729,0.04922112,0.13642335,-0.00296028,0.00083054,-0.00905294,-0.1
 1024837,0.03008225,0.03925671,-0.04080985,0.02030279,-0.00343393,0.442
 65564,0.00832265,-0.01451018,-0.02349919,0.03539226,-0.09595197,-0.024
 10246,-0.00600288,0.01464070,0.00050628,0.02121211,0.46558524,0.008800
 44,-0.03823650,-0.00809553,0.01944018,-0.01324663,-0.09580152,-0.01392
 046,0.00149149,0.01645414,0.01927951,0.06559687,0.60331649,-0.03675230
 ,0.01423741,0.01797559,-0.03959848,-0.00294983,-0.00278560,-0.00287541
 ,0.00264170,0.00084530,-0.12674484,-0.03167771,-0.02214531,0.53275069,
 0.01737415,-0.00933384,-0.00713571,0.00192711,0.01900534,0.00415749,0.
 00811591,-0.00564065,-0.00063572,-0.02505749,-0.09367093,-0.01858174,-
 0.02117833,0.47402218,0.00029215,-0.00265408,0.00356231,-0.00561010,0.
 00639017,0.00531468,0.00265925,-0.00181949,-0.00016683,-0.02739366,-0.
 01947970,-0.09270605,0.00216680,-0.02137897,0.47368017,-0.15620046,0.0
 1493446,-0.02359346,-0.04722159,-0.03006907,-0.04036363,0.01305964,0.0
 0592070,0.00685914,0.01181034,-0.00744101,-0.01801674,-0.07745428,0.01
 099342,0.02700514,0.41325229,0.03384396,-0.08171905,-0.00263584,-0.025
 67781,0.00208552,0.00127905,-0.00285778,-0.00138186,-0.00917648,-0.005
 83350,-0.02167661,-0.03064583,0.00690276,-0.09536393,-0.02995393,0.084
 12677,0.60790580,-0.00723523,-0.00979013,-0.07997520,-0.03162445,0.002
 28649,-0.01454729,-0.00181808,-0.00598794,0.00076793,-0.00838978,-0.01
 885656,-0.01861653,0.01632113,-0.02468880,-0.12948379,0.03870366,-0.02
 925553,0.55451564,0.00200592,0.00027408,0.00486182,-0.00045193,0.02032
 408,-0.02049521,0.00124637,-0.00013263,0.00319200,-0.08218495,-0.02081
 396,-0.00528173,-0.00141745,-0.02984262,0.01948567,-0.00272065,0.00066
 349,0.00030693,0.49483551,0.00298451,-0.00094426,-0.00826737,-0.004123
 09,-0.03884395,0.02518194,0.00548745,0.00415768,-0.00406055,0.00791731
 ,-0.16859751,0.08232323,-0.00709221,-0.02360462,0.01377248,0.00152410,
 0.00039056,0.00162011,0.18904148,0.33828516,-0.00181397,0.00260330,0.0
 0209313,-0.00165748,0.00720664,-0.00057578,-0.00047391,-0.00085592,0.0
 0236341,-0.02227724,0.05545916,-0.11190547,0.00340696,-0.00189712,0.00
 576038,0.00128368,0.00017997,-0.00114312,0.10274311,-0.09039066,0.1559
 8227,-0.00115470,0.00626671,0.00324333,0.00309411,0.00402531,0.0249937
 1,0.00090724,-0.00011688,-0.00262115,-0.05515197,-0.00030722,-0.003376
 04,0.00115752,-0.00796088,-0.02518879,-0.00636450,-0.00225863,-0.00089
 845,0.00468793,-0.00266569,0.00215150,0.05029501,0.00046662,-0.0039072
 3,-0.00195657,-0.00290139,-0.00105602,-0.01735910,-0.00008028,0.000156
 46,0.00182411,0.00133479,-0.05757151,-0.05858786,0.00033209,-0.0031188
 0,-0.01213332,-0.00068795,-0.00174877,-0.00090326,-0.00098845,-0.00624
 352,0.04115258,0.00257679,0.07253092,0.00051067,-0.00065972,-0.0010435
 4,-0.00391641,-0.00374729,-0.00702250,0.00106301,0.00067673,0.00162810
 ,-0.00247504,-0.05707984,-0.29004769,0.00127347,-0.00292409,-0.0063175
 5,-0.00036034,-0.00042401,0.00022097,0.00176954,0.01355842,-0.01853283
 ,0.00226122,0.04927150,0.31936983,0.00059223,0.00163262,0.00117226,-0.
 00207782,-0.00339602,-0.00193263,-0.00112628,0.00107855,0.00021733,-0.
 02753056,0.01004833,-0.00581056,-0.14382639,0.04612024,-0.02185478,-0.
 01468356,0.00940893,0.00151586,-0.00042362,0.00166092,-0.00064140,0.00
 072084,-0.00018205,0.00000778,0.50002419,0.00228168,-0.00007850,-0.000
 53530,-0.00220918,-0.00622458,-0.00319424,-0.00239572,0.00217477,0.000
 51819,-0.01284185,0.01525485,-0.00290789,0.04506973,-0.11071509,0.0121
 2136,0.01564224,-0.01085362,0.00255593,-0.00000147,-0.00036493,0.00088
 175,-0.00061273,-0.00028801,-0.00005802,0.04719792,0.54619824,0.008264
 52,-0.00212693,-0.00169758,-0.00121991,-0.00499635,-0.00392387,0.00018
 523,0.00140579,0.00100656,-0.01194818,0.00513129,-0.00247711,-0.021283
 38,0.01292224,-0.08515137,0.01819396,-0.01091661,0.00892593,0.00010081
 ,0.00046018,-0.00022304,-0.00015178,0.00021246,-0.00003775,-0.02766382
 ,0.00599813,0.57018645,-0.00040567,0.00071621,0.00019238,-0.00014135,-
 0.00085735,0.00071811,-0.00025470,0.00020988,-0.00010956,-0.00678922,-
 0.01846294,0.01829050,-0.08529041,-0.01477355,0.01676575,-0.00352831,-
 0.00730562,0.01148852,-0.00534409,-0.00307303,-0.00033373,0.00126442,-
 0.00046798,0.00117745,0.00599110,0.01999706,-0.02101035,0.56919564,0.0
 0028585,-0.00014629,0.00146761,-0.00154941,0.00020521,-0.00176263,0.00
 127750,-0.00012149,0.00074206,-0.00928788,-0.01944627,0.01437710,-0.01
 164163,-0.11613294,0.04388663,0.00108528,0.01183887,-0.01086391,-0.004
 17533,-0.00094063,-0.00058836,0.00066086,0.00024602,0.00129311,-0.0006
 2505,-0.01813206,0.01845869,-0.01697637,0.52644852,-0.00081777,0.00112
 042,0.00075479,0.00039489,-0.00204789,-0.00142884,-0.00054004,0.000703
 15,0.00026453,0.00441835,-0.00120213,0.00577884,0.01345998,0.04449421,
 -0.12330936,0.01103312,0.01476678,-0.03199824,-0.00383998,-0.00318529,
 0.00054420,-0.00128670,-0.00161507,0.00071027,-0.00162844,0.01153882,-
 0.01005976,0.01963867,0.05792470,0.51260853,-0.01998843,0.01612071,-0.
 03724416,0.00133715,0.00833129,0.00214369,-0.00274273,-0.00269774,-0.0
 0076548,-0.00038626,0.00003375,-0.00024428,0.00068785,-0.00735649,0.00
 989342,-0.04434664,-0.00211333,-0.00098234,0.00016814,-0.00004774,0.00
 023875,0.00024428,-0.00002039,0.00007402,0.00069040,-0.00059955,0.0010
 6956,-0.00075556,0.00217515,0.00270369,0.06176611,0.00575151,0.0035290
 4,0.00265695,-0.00083718,-0.00129998,-0.00205497,0.00043335,0.00006359
 ,0.00065279,0.00016284,0.00056525,-0.00009452,0.00021485,0.00901942,-0
 .01320535,0.00176979,-0.13189002,0.11859298,-0.00013782,-0.00029182,0.
 00014222,-0.00012610,-0.00008177,0.00000089,-0.00025622,0.00135257,-0.
 00047046,0.00051498,-0.00146838,-0.00187711,-0.00777898,0.13409889,-0.
 00879774,0.00165576,-0.00293757,-0.00012313,0.00229296,0.00047230,-0.0
 0040376,-0.00067076,-0.00016191,0.00039419,0.00134164,-0.00082255,0.00
 163930,0.01378987,-0.01915056,-0.00636852,0.11588914,-0.23373860,0.000
 00741,-0.00043389,0.00105319,-0.00001209,-0.00023300,0.00000321,-0.001
 15152,0.00145563,0.00101177,0.00083344,-0.00380699,-0.00261027,0.01209
 169,-0.12829965,0.25155971,-0.02620774,-0.03061696,-0.01381711,-0.0035
 3521,0.00330377,0.00648010,-0.00215106,-0.00137657,-0.00320888,-0.0012
 6022,0.00125833,0.00247732,0.00801190,0.01124498,0.00130071,-0.0843462
 1,-0.08787730,-0.01126019,0.00036335,-0.00020971,-0.00007895,0.0008661
 9,0.00028797,0.00009241,0.00073244,-0.00034613,-0.00022590,0.00077209,
 0.00056331,-0.00021949,0.00348296,0.00007428,0.00113606,0.10390397,0.0
 0316563,0.01112357,0.00054037,0.00179340,-0.00010864,0.00027407,0.0001
 8962,0.00034411,0.00074302,0.00197755,-0.00049436,-0.00126164,-0.00633
 972,-0.01106108,-0.00135219,-0.09882814,-0.27595601,-0.03033819,-0.000
 15580,-0.00004452,-0.00020393,-0.00052871,-0.00030220,-0.00015583,-0.0
 0037348,-0.00033961,-0.00061489,-0.00061407,0.00083655,0.00183567,-0.0
 0608928,-0.01429375,-0.00263516,0.10406839,0.28889678,-0.00476842,-0.0
 0731851,-0.00029405,-0.00224054,-0.00123132,-0.00051370,-0.00013382,0.
 00006665,-0.00045218,0.00210572,-0.00154148,-0.00377044,-0.00981805,-0
 .02167001,-0.00449062,-0.01219985,-0.02538150,-0.05458829,-0.00007554,
 -0.00002442,0.00059988,-0.00100951,-0.00051665,-0.00018620,-0.00030071
 ,0.00016653,-0.00072011,-0.00093604,-0.00110339,0.00125677,0.01079925,
 0.02453215,0.00511972,0.01750831,0.03354536,0.05750938,-0.00115444,-0.
 00006755,-0.00032563,0.00588749,0.00216420,0.00022511,-0.00200149,-0.0
 0171939,0.00020879,-0.00240966,0.00321296,-0.00240070,0.00031940,0.000
 86193,0.00080646,0.00038897,-0.00021705,-0.00017927,-0.40891152,-0.189
 86444,-0.08123106,0.00017186,0.00083702,-0.00081167,0.00020916,-0.0000
 3399,-0.00027080,0.00014606,-0.00015741,-0.00024254,-0.00008840,0.0000
 0535,-0.00005057,-0.00010142,0.00006930,-0.00002972,0.40735616,0.00104
 705,0.00095978,0.00180455,-0.00335784,-0.00345009,-0.00368156,0.001045
 53,0.00180199,0.00057615,-0.03428173,-0.02118690,-0.00676375,0.0013083
 6,-0.00450575,0.00528629,-0.00093558,0.00033759,-0.00000702,-0.1499684
 4,-0.10276793,-0.01189883,0.00012201,0.00139448,0.00036054,0.00096539,
 0.00029951,0.00060017,-0.00142447,-0.00091052,-0.00104433,0.00017477,-
 0.00005470,-0.00004616,0.00013857,0.00005931,-0.00005913,0.18524850,0.
 12811455,-0.00017103,-0.00028777,-0.00034518,0.00045199,0.00026932,0.0
 0186154,-0.00043693,-0.00066188,-0.00110502,0.02204188,0.01403813,0.00
 175674,-0.00053629,0.00233499,-0.00188126,-0.00023884,0.00011091,-0.00
 013669,-0.10556861,-0.03135885,-0.03772424,0.00055999,0.00043491,-0.00
 015388,-0.00058909,-0.00002671,-0.00037716,0.00059425,0.00054211,0.000
 43530,-0.00007179,0.00000997,0.00011444,-0.00000614,0.00007250,0.00003
 139,0.08361754,0.01476168,0.03717935,0.00004599,-0.00035320,-0.0001218
 6,0.00007253,0.00038928,0.00026617,0.00019116,-0.00016807,-0.00000975,
 0.00112017,0.00042379,-0.00071453,0.00724783,0.01838953,-0.01911865,0.
 00105935,-0.00010635,-0.00106949,-0.00211549,-0.00100082,-0.00041430,0
 .00001409,-0.00014814,0.00017494,-0.06275835,-0.04423973,0.04767638,-0
 .00470413,0.00241864,-0.00082255,0.00007870,0.00004649,0.00047721,-0.0
 0002146,-0.00009859,0.00006631,0.00007885,-0.00006987,0.00027038,0.068
 01325,-0.00033032,0.00013860,-0.00064834,-0.00004879,0.00032047,0.0004
 9171,-0.00004402,-0.00009136,-0.00015778,-0.00065381,-0.00051273,0.000
 06726,-0.00389172,-0.01248702,0.01171282,-0.00057956,-0.00000728,0.001
 59797,-0.00156075,-0.00009325,-0.00086959,0.00002486,-0.00003127,-0.00
 002166,-0.04147979,-0.16932007,0.12694907,0.00363991,-0.00148965,0.000
 07172,0.00038315,-0.00009023,-0.00092806,-0.00001114,0.00021193,-0.000
 07770,-0.00023738,0.00015548,-0.00024579,0.04509114,0.18342047,-0.0002
 5898,-0.00023058,-0.00013509,0.00016190,0.00035140,0.00034941,-0.00003
 965,-0.00015297,-0.00005258,0.00076228,0.00171031,-0.00058024,0.001093
 55,0.00444745,-0.00712966,0.00025488,-0.00102420,0.00046949,0.00079914
 ,-0.00064896,0.00048831,-0.00000443,-0.00007527,0.00013593,0.04427411,
 0.12640833,-0.17960680,-0.00231544,0.00078425,0.00020334,-0.00005898,0
 .00002310,0.00040439,0.00011735,-0.00007195,0.00004406,0.00034983,-0.0
 0031218,0.00028084,-0.04924871,-0.14020245,0.19253169,-0.00216701,0.00
 038026,0.00014473,0.00062171,0.00145830,0.00113250,-0.00025199,-0.0003
 9158,-0.00033908,0.00128142,0.00022102,0.00097759,-0.01109325,0.013911
 14,0.02302821,-0.00236843,0.00168154,-0.00323662,-0.00003728,-0.000547
 90,-0.00024285,-0.00025338,-0.00013386,-0.00035353,-0.07871465,0.04421
 443,0.07333440,0.00075386,-0.00096047,0.00100561,-0.00009844,-0.000223
 11,-0.00027225,-0.00018993,0.00044224,0.00034208,-0.00000872,-0.000106
 95,-0.00001893,-0.00320575,0.00376056,0.00588458,0.08603628,0.00143135
 ,-0.00005186,-0.00036913,-0.00042037,-0.00081516,-0.00070802,0.0002827
 6,0.00018437,0.00026443,-0.00062608,0.00055304,0.00036416,0.00618215,-
 0.01037902,-0.01454561,0.00170558,-0.00010619,0.00287014,0.00005793,0.
 00006593,-0.00009496,0.00033829,0.00015919,0.00013865,0.04462045,-0.10
 728009,-0.10017592,-0.00029624,0.00048354,-0.00130978,-0.00000549,0.00
 009933,-0.00011663,-0.00021275,0.00007495,-0.00007098,0.00003661,-0.00
 004564,-0.00007869,-0.00774023,0.01221813,0.01741833,-0.05244037,0.114
 48837,-0.00058020,0.00025899,0.00066126,0.00001232,0.00001094,-0.00011
 826,0.00020189,0.00001056,0.00006880,0.00034226,-0.00071533,0.00057321
 ,-0.00259774,0.00540179,0.00713396,-0.00128987,0.00107389,-0.00047503,
 -0.00014271,0.00053884,0.00014628,0.00030362,0.00000876,-0.00002561,0.
 07491536,-0.10144484,-0.21623446,-0.00040076,0.00031069,0.00086231,-0.
 00024700,-0.00001805,0.00038977,0.00001968,-0.00006199,0.00011089,0.00
 002940,-0.00001030,0.00006361,0.00677576,-0.01160863,-0.01745686,-0.08
 085161,0.11082209,0.23288725,0.00074538,0.00081587,0.00083229,-0.00020
 246,-0.00264096,-0.00160269,-0.00086298,0.00090463,0.00036730,-0.00235
 732,0.00456389,-0.00011099,-0.02187349,-0.01637907,-0.00995448,0.00007
 042,-0.00079700,-0.00062278,0.00053855,0.00019050,0.00001337,-0.000283
 44,-0.00011940,-0.00014178,-0.17857100,-0.11138256,-0.06460242,0.00085
 338,-0.00125657,0.00087140,-0.00008365,-0.00005398,0.00034264,-0.00020
 162,0.00052379,0.00025955,0.00004364,0.00012733,-0.00006396,-0.0054105
 5,-0.00384186,-0.00223956,0.00931637,0.00720183,0.00355658,0.19741464,
 -0.00059150,-0.00011142,-0.00001905,0.00071996,0.00111310,0.00060072,0
 .00022171,-0.00035847,-0.00013347,0.00275729,-0.00327999,0.00127821,0.
 01469927,0.01110976,0.00804593,-0.00002346,0.00091633,-0.00018549,-0.0
 0114962,0.00032649,-0.00041473,0.00024913,0.00015173,0.00001252,-0.112
 50055,-0.14137045,-0.05485726,0.00035777,0.00125791,-0.00023854,-0.000
 18987,-0.00008270,-0.00004953,-0.00018398,-0.00005355,0.00005762,-0.00
 012928,0.00014127,-0.00010532,-0.01412246,-0.01244909,-0.00893334,-0.0
 1100220,-0.00976986,-0.00441904,0.12106618,0.15243795,-0.00013156,0.00
 027071,-0.00015128,0.00019246,-0.00079881,-0.00014588,-0.00054316,0.00
 021858,-0.00002220,-0.00062408,0.00232981,0.00046184,-0.00629680,-0.00
 472194,-0.00438029,0.00043453,0.00010784,0.00037421,0.00058835,-0.0000
 6301,0.00031612,0.00019961,-0.00005639,0.00003138,-0.06442789,-0.05429
 635,-0.07900270,-0.00021854,-0.00097146,0.00010325,0.00003717,0.000191
 45,-0.00002631,-0.00010036,0.00012321,0.00031743,0.00019380,-0.0000652
 9,0.00012355,0.01690854,0.01286175,0.00968319,-0.01954149,-0.01543448,
 -0.00901508,0.07309263,0.05958138,0.08127163,-0.00006318,-0.00062450,0
 .00081866,-0.00010266,-0.00007520,0.00039818,0.00016366,-0.00005908,0.
 00003631,0.00036651,-0.00054041,-0.00025104,0.00744389,-0.00519631,0.0
 0143087,-0.00004156,0.00063694,-0.00025187,0.00028917,0.00025156,-0.00
 001981,0.00002623,0.00019864,-0.00001732,0.00010563,-0.00069206,0.0007
 3058,-0.21086988,0.11478272,-0.05045993,0.00003910,-0.00013953,-0.0001
 5235,-0.00010158,0.00006984,-0.00024525,-0.00000438,0.00004759,-0.0000
 1861,0.00035862,-0.00025536,0.00029197,-0.00001324,-0.00022362,0.00001
 667,0.00023366,-0.00005940,0.00031112,0.22809817,-0.00054827,0.0004346
 9,-0.00076352,-0.00047405,-0.00052599,0.00096369,-0.00033704,0.0000906
 4,-0.00031736,0.00107623,0.00022275,0.00049752,0.01684022,-0.01221159,
 0.00375129,0.00093530,0.00009923,-0.00048442,-0.00012688,0.00051489,-0
 .00040756,-0.00007200,-0.00031793,-0.00037377,-0.00249759,-0.00231678,
 0.00328334,0.11390029,-0.12882052,0.03613732,0.00002204,-0.00003371,-0
 .00007386,-0.00020108,0.00018234,0.00007987,-0.00006835,-0.00005285,-0
 .00002854,0.00125821,-0.00038950,0.00067800,-0.00036552,0.00034567,-0.
 00006620,0.00021483,0.00016490,0.00012482,-0.12583074,0.13919887,0.000
 48893,-0.00098371,-0.00006963,0.00129296,0.00178280,0.00052640,-0.0002
 2683,-0.00034827,-0.00025262,-0.00067131,-0.00046591,0.00052001,-0.019
 91941,0.01229536,-0.00633844,-0.00142052,0.00049469,0.00062164,0.00009
 538,-0.00029175,-0.00013516,0.00023484,-0.00013098,0.00006668,0.002559
 28,0.00296897,-0.00348479,-0.04937025,0.03507007,-0.06367272,-0.000189
 67,-0.00014890,0.00018722,0.00000338,-0.00032883,-0.00024740,0.0000265
 3,0.00001808,0.00007336,-0.00125819,0.00108314,-0.00012971,-0.00011850
 ,0.00021310,0.00025258,0.00035030,-0.00021365,0.00015102,0.05438474,-0
 .04255505,0.06724603,0.00007762,0.00035657,0.00080075,0.00059703,-0.00
 019888,-0.00087658,0.00001705,0.00014174,0.00029526,0.00125208,-0.0004
 5794,0.00137279,-0.00675769,-0.00442627,-0.00175841,-0.00046535,-0.000
 70852,-0.00120332,-0.00064834,-0.00040290,-0.00004299,0.00012385,0.000
 17163,0.00006486,0.00051891,0.00091162,-0.00031555,-0.18844782,-0.1166
 1425,-0.05921704,0.00019280,0.00032419,0.00008955,-0.00008480,0.000545
 83,0.00067578,0.00014115,-0.00010837,0.00011329,0.00004343,0.00010777,
 0.00017032,0.00002175,0.00002364,0.00007559,0.00059146,-0.00006755,0.0
 0002465,-0.01824481,-0.01587578,-0.00776255,0.20255260,0.00043335,0.00
 050675,0.00022500,0.00046091,-0.00099478,-0.00040870,-0.00047066,0.000
 32583,0.00004701,0.00079715,-0.00126418,0.00340992,-0.01643664,-0.0145
 9616,-0.00637672,0.00056323,0.00020285,-0.00123384,-0.00157273,-0.0009
 0840,0.00011729,0.00038609,-0.00004930,0.00029107,-0.00080334,0.000754
 02,-0.00124195,-0.11581952,-0.14168747,-0.04894826,0.00015660,0.000142
 79,-0.00000840,-0.00000688,0.00071826,0.00027750,0.00002255,-0.0003261
 7,0.00024198,0.00020529,0.00036614,0.00001591,-0.00000053,-0.00013757,
 -0.00000241,0.00072743,-0.00004465,0.00060804,0.01345404,0.01243157,0.
 00590039,0.12939435,0.15426469,0.00002864,-0.00029840,-0.00037721,-0.0
 0024932,0.00025463,0.00026726,0.00007936,-0.00014932,-0.00002243,-0.00
 092080,0.00181355,-0.00393067,0.01923635,0.01576292,0.00536840,0.00053
 246,0.00113678,0.00207447,0.00162509,0.00108357,0.00043540,0.00006402,
 0.00034812,0.00039718,0.00082249,-0.00061709,0.00108479,-0.06044321,-0
 .05086802,-0.07180828,-0.00018585,-0.00002858,0.00021081,-0.00011975,-
 0.00046047,-0.00011878,0.00006867,0.00049422,-0.00017561,0.00016448,-0
 .00025724,0.00003991,-0.00020552,-0.00002432,-0.00006372,-0.00035563,-
 0.00008473,-0.00003926,-0.00483971,-0.00475472,-0.00312474,0.06478550,
 0.05141851,0.07742955,0.00021760,-0.00051655,-0.00008120,0.00059158,0.
 00087046,0.00042876,-0.00021536,-0.00022097,-0.00021357,0.00034734,0.0
 0101497,0.00163404,-0.00393509,0.00323259,0.00604442,0.00010052,-0.001
 51151,0.00043576,0.00012039,-0.00003032,-0.00060968,-0.00036557,-0.000
 47567,-0.00039328,0.00012733,0.00004031,-0.00086335,-0.07244542,0.0399
 9505,0.06554878,-0.00019737,0.00025530,0.00032046,0.00006832,0.0001821
 9,0.00000045,-0.00006271,0.00002814,0.00007091,-0.00010825,-0.00007290
 ,0.00000585,0.00037068,0.00008457,-0.00013925,0.00003901,-0.00005143,-
 0.00009896,-0.00768337,0.01215016,0.02150092,0.00851908,-0.01149068,-0
 .02008727,0.07451128,-0.00015347,0.00051532,-0.00025896,0.00015271,-0.
 00030628,0.00007937,-0.00001208,0.00003740,-0.00000394,0.00013148,0.00
 134132,0.00092061,-0.00722077,0.00966473,0.01793239,-0.00063610,-0.003
 07341,0.00307148,0.00026545,-0.00009538,-0.00012125,-0.00000121,0.0000
 7755,-0.00015921,-0.00061926,0.00124986,-0.00002100,0.04073506,-0.1120
 2039,-0.10712438,-0.00049862,0.00071618,0.00087708,0.00010289,0.000205
 92,0.00026941,0.00003641,0.00003659,-0.00002293,-0.00017489,0.00013024
 ,-0.00018519,0.00010301,-0.00008712,-0.00008975,0.00013512,-0.00009925
 ,-0.00000985,0.00425487,-0.00901667,-0.01435957,0.00688312,-0.00970421
 ,-0.01476941,-0.04348372,0.12042760,0.00052691,0.00046356,0.00088794,-
 0.00050941,-0.00096339,-0.00062505,0.00032681,0.00022413,0.00026956,-0
 .00141394,-0.00098444,-0.00010745,0.00796416,-0.01197221,-0.02031411,-
 0.00044879,0.00437488,-0.00326750,-0.00017148,0.00018599,0.00045705,0.
 00053710,0.00031503,0.00080400,0.00051636,-0.00153318,0.00078098,0.065
 43882,-0.10489226,-0.21863465,0.00093831,-0.00060490,-0.00107875,-0.00
 009855,0.00035088,0.00039226,0.00001583,-0.00001313,-0.00002107,-0.000
 00214,0.00018181,0.00046039,-0.00066932,0.00083761,0.00023910,0.000008
 25,0.00007775,-0.00005062,-0.00216323,0.00430914,0.00781027,0.00270811
 ,-0.00433236,-0.00764708,-0.07350379,0.11397510,0.23964473\\-0.0000064
 0,0.00000821,0.00000931,-0.00001275,-0.00000956,-0.00000764,-0.0000007
 3,0.00000125,-0.00000169,-0.00000201,-0.00000244,0.00000216,0.00000782
 ,0.00002152,-0.00001212,0.00001553,-0.00000715,-0.00000130,0.00000981,
 0.00000300,0.00000786,0.00000363,0.00000021,0.00000129,0.00000041,0.00
 000576,-0.00000100,-0.00000467,0.00000291,-0.00000708,-0.00000389,-0.0
 0000017,0.00000246,0.00000017,0.00000085,-0.00000397,-0.00000074,0.000
 00003,0.00000013,-0.00000271,-0.00001006,-0.00000135,0.00000310,-0.000
 00094,-0.00000103,-0.00000082,0.00000066,0.00000089,-0.00000504,-0.000
 00816,0.00001045,-0.00000076,-0.00000119,0.00000149,0.00000003,-0.0000
 0472,0.00000113\\\@


 THE RARE EARTHS PERPLEX US IN OUR RESEARCHES,
 BAFFLE US IN OUR SPECULATIONS, AND HAUNT US IN OUR
 VERY DREAMS.  THEY STRETCH LIKE AN UNKNOWN BEFORE US,
 MOCKING, MYSTIFYING, AND MURMURING STRANGE REVELATIONS
 AND POSSIBILITIES.  -- SIR WILLIAM CROOKE, 1832-1919
 Job cpu time:       0 days  7 hours 21 minutes 59.4 seconds.
 Elapsed time:       0 days  0 hours 27 minutes 40.6 seconds.
 File lengths (MBytes):  RWF=    255 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 21:17:23 2021.
